data_19811 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19811 _Entry.Title ; NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-21 _Entry.Accession_date 2014-02-21 _Entry.Last_release_date 2014-10-27 _Entry.Original_release_date 2014-10-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peng Xiong . . . 19811 2 Meng Wang . . . 19811 3 Jiahai Zhang . . . 19811 4 Quan Chen . . . 19811 5 Haiyan Liu . . . 19811 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19811 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 19811 'protein design' . 19811 'Statistical energy Function' . 19811 ubiquitin . 19811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 19811 '15N chemical shifts' 76 19811 '1H chemical shifts' 561 19811 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-10-27 2014-02-21 original author . 19811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mlb 'BMRB Entry Tracking System' 19811 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19811 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A comprehensive statistical energy function for protein design' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Methods' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peng Xiong . . . 19811 1 2 Meng Wang . . . 19811 1 3 Xiaoqun Zhou . . . 19811 1 4 Tongchuan Zhang . . . 19811 1 5 Jiahai Zhang . . . 19811 1 6 Quan Chen . . . 19811 1 7 Haiyan Liu . . . 19811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19811 _Assembly.ID 1 _Assembly.Name 'a computational designed protein based on template of human erythrocytic ubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'redesigned ubiquitin' 1 $entity A . yes native no no . . . 19811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name redesigned_ubiquitin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDTINITLPDGKTLTLTVTP EFTVKELAEEIARRLGLSPE DIKLTHNGKTLDPSLTLAEY GITPGSTITLEIKKKGGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8559.913 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MLB . "Nmr Solution Structure Of A Computational Designed Protein Based On Template Of Human Erythrocytic Ubiquitin" . . . . . 100.00 79 100.00 100.00 1.56e-45 . . . . 19811 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19811 1 2 . ASP . 19811 1 3 . THR . 19811 1 4 . ILE . 19811 1 5 . ASN . 19811 1 6 . ILE . 19811 1 7 . THR . 19811 1 8 . LEU . 19811 1 9 . PRO . 19811 1 10 . ASP . 19811 1 11 . GLY . 19811 1 12 . LYS . 19811 1 13 . THR . 19811 1 14 . LEU . 19811 1 15 . THR . 19811 1 16 . LEU . 19811 1 17 . THR . 19811 1 18 . VAL . 19811 1 19 . THR . 19811 1 20 . PRO . 19811 1 21 . GLU . 19811 1 22 . PHE . 19811 1 23 . THR . 19811 1 24 . VAL . 19811 1 25 . LYS . 19811 1 26 . GLU . 19811 1 27 . LEU . 19811 1 28 . ALA . 19811 1 29 . GLU . 19811 1 30 . GLU . 19811 1 31 . ILE . 19811 1 32 . ALA . 19811 1 33 . ARG . 19811 1 34 . ARG . 19811 1 35 . LEU . 19811 1 36 . GLY . 19811 1 37 . LEU . 19811 1 38 . SER . 19811 1 39 . PRO . 19811 1 40 . GLU . 19811 1 41 . ASP . 19811 1 42 . ILE . 19811 1 43 . LYS . 19811 1 44 . LEU . 19811 1 45 . THR . 19811 1 46 . HIS . 19811 1 47 . ASN . 19811 1 48 . GLY . 19811 1 49 . LYS . 19811 1 50 . THR . 19811 1 51 . LEU . 19811 1 52 . ASP . 19811 1 53 . PRO . 19811 1 54 . SER . 19811 1 55 . LEU . 19811 1 56 . THR . 19811 1 57 . LEU . 19811 1 58 . ALA . 19811 1 59 . GLU . 19811 1 60 . TYR . 19811 1 61 . GLY . 19811 1 62 . ILE . 19811 1 63 . THR . 19811 1 64 . PRO . 19811 1 65 . GLY . 19811 1 66 . SER . 19811 1 67 . THR . 19811 1 68 . ILE . 19811 1 69 . THR . 19811 1 70 . LEU . 19811 1 71 . GLU . 19811 1 72 . ILE . 19811 1 73 . LYS . 19811 1 74 . LYS . 19811 1 75 . LYS . 19811 1 76 . GLY . 19811 1 77 . GLY . 19811 1 78 . LEU . 19811 1 79 . GLU . 19811 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19811 1 . ASP 2 2 19811 1 . THR 3 3 19811 1 . ILE 4 4 19811 1 . ASN 5 5 19811 1 . ILE 6 6 19811 1 . THR 7 7 19811 1 . LEU 8 8 19811 1 . PRO 9 9 19811 1 . ASP 10 10 19811 1 . GLY 11 11 19811 1 . LYS 12 12 19811 1 . THR 13 13 19811 1 . LEU 14 14 19811 1 . THR 15 15 19811 1 . LEU 16 16 19811 1 . THR 17 17 19811 1 . VAL 18 18 19811 1 . THR 19 19 19811 1 . PRO 20 20 19811 1 . GLU 21 21 19811 1 . PHE 22 22 19811 1 . THR 23 23 19811 1 . VAL 24 24 19811 1 . LYS 25 25 19811 1 . GLU 26 26 19811 1 . LEU 27 27 19811 1 . ALA 28 28 19811 1 . GLU 29 29 19811 1 . GLU 30 30 19811 1 . ILE 31 31 19811 1 . ALA 32 32 19811 1 . ARG 33 33 19811 1 . ARG 34 34 19811 1 . LEU 35 35 19811 1 . GLY 36 36 19811 1 . LEU 37 37 19811 1 . SER 38 38 19811 1 . PRO 39 39 19811 1 . GLU 40 40 19811 1 . ASP 41 41 19811 1 . ILE 42 42 19811 1 . LYS 43 43 19811 1 . LEU 44 44 19811 1 . THR 45 45 19811 1 . HIS 46 46 19811 1 . ASN 47 47 19811 1 . GLY 48 48 19811 1 . LYS 49 49 19811 1 . THR 50 50 19811 1 . LEU 51 51 19811 1 . ASP 52 52 19811 1 . PRO 53 53 19811 1 . SER 54 54 19811 1 . LEU 55 55 19811 1 . THR 56 56 19811 1 . LEU 57 57 19811 1 . ALA 58 58 19811 1 . GLU 59 59 19811 1 . TYR 60 60 19811 1 . GLY 61 61 19811 1 . ILE 62 62 19811 1 . THR 63 63 19811 1 . PRO 64 64 19811 1 . GLY 65 65 19811 1 . SER 66 66 19811 1 . THR 67 67 19811 1 . ILE 68 68 19811 1 . THR 69 69 19811 1 . LEU 70 70 19811 1 . GLU 71 71 19811 1 . ILE 72 72 19811 1 . LYS 73 73 19811 1 . LYS 74 74 19811 1 . LYS 75 75 19811 1 . GLY 76 76 19811 1 . GLY 77 77 19811 1 . LEU 78 78 19811 1 . GLU 79 79 19811 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19811 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19811 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19811 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 19811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19811 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'redesigned ubiquitin' '[U-100% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 19811 1 2 'phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 19811 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19811 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19811 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19811 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19811 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19811 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'redesigned ubiquitin' '[U-100% 13C]' . . 1 $entity . . . 0.5 1 mM . . . . 19811 2 2 'phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 19811 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19811 2 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19811 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19811 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19811 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 19811 1 pH 6.5 . pH 19811 1 pressure 1 . atm 19811 1 temperature 298 . K 19811 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19811 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19811 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19811 1 refinement 19811 1 'structure solution' 19811 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19811 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19811 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 19811 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19811 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19811 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 19811 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 19811 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 19811 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19811 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' 1 $sample_1 . 19811 1 3 '3D C(CO)NH' 1 $sample_1 . 19811 1 4 '3D HNCACB' 1 $sample_1 . 19811 1 5 '3D HBHA(CO)NH' 1 $sample_1 . 19811 1 6 '3D H(CCO)NH' 1 $sample_1 . 19811 1 7 '3D HCCH-TOCSY' 2 $sample_2 . 19811 1 10 '3D HCCH-COSY' 2 $sample_2 . 19811 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.535 0.000 2 1 . . . A 1 MET HA . 19811 1 2 . 1 1 1 1 MET HB2 H 1 2.047 0.000 1 2 . . . A 1 MET HB2 . 19811 1 3 . 1 1 1 1 MET HB3 H 1 1.925 0.000 1 2 . . . A 1 MET HB3 . 19811 1 4 . 1 1 1 1 MET HG2 H 1 2.498 0.000 1 2 . . . A 1 MET HG2 . 19811 1 5 . 1 1 1 1 MET HG3 H 1 2.498 0.000 1 2 . . . A 1 MET HG3 . 19811 1 6 . 1 1 1 1 MET H H 1 8.393 0.000 3 1 . . . A 1 MET H1 . 19811 1 7 . 1 1 1 1 MET CA C 13 54.032 0.078 2 1 . . . A 1 MET CA . 19811 1 8 . 1 1 1 1 MET CB C 13 33.575 0.005 2 1 . . . A 1 MET CB . 19811 1 9 . 1 1 1 1 MET N N 15 127.937 0.025 3 1 . . . A 1 MET N . 19811 1 10 . 1 1 2 2 ASP H H 1 8.479 0.000 9 1 . . . A 2 ASP H . 19811 1 11 . 1 1 2 2 ASP HA H 1 4.798 0.003 9 1 . . . A 2 ASP HA . 19811 1 12 . 1 1 2 2 ASP HB2 H 1 2.664 0.004 7 2 . . . A 2 ASP HB2 . 19811 1 13 . 1 1 2 2 ASP HB3 H 1 2.411 0.003 8 2 . . . A 2 ASP HB3 . 19811 1 14 . 1 1 2 2 ASP CA C 13 54.249 0.060 5 1 . . . A 2 ASP CA . 19811 1 15 . 1 1 2 2 ASP CB C 13 42.163 0.225 7 1 . . . A 2 ASP CB . 19811 1 16 . 1 1 2 2 ASP N N 15 121.707 0.016 9 1 . . . A 2 ASP N . 19811 1 17 . 1 1 3 3 THR H H 1 7.857 0.001 21 1 . . . A 3 THR H . 19811 1 18 . 1 1 3 3 THR HA H 1 5.324 0.003 16 1 . . . A 3 THR HA . 19811 1 19 . 1 1 3 3 THR HB H 1 3.939 0.004 9 1 . . . A 3 THR HB . 19811 1 20 . 1 1 3 3 THR HG21 H 1 0.947 0.005 9 1 . . . A 3 THR HG21 . 19811 1 21 . 1 1 3 3 THR HG22 H 1 0.947 0.005 9 1 . . . A 3 THR HG22 . 19811 1 22 . 1 1 3 3 THR HG23 H 1 0.947 0.005 9 1 . . . A 3 THR HG23 . 19811 1 23 . 1 1 3 3 THR CA C 13 59.553 0.003 4 1 . . . A 3 THR CA . 19811 1 24 . 1 1 3 3 THR CB C 13 72.235 0.023 6 1 . . . A 3 THR CB . 19811 1 25 . 1 1 3 3 THR CG2 C 13 21.717 0.096 4 1 . . . A 3 THR CG2 . 19811 1 26 . 1 1 3 3 THR N N 15 109.876 0.073 21 1 . . . A 3 THR N . 19811 1 27 . 1 1 4 4 ILE H H 1 8.665 0.005 16 1 . . . A 4 ILE H . 19811 1 28 . 1 1 4 4 ILE HA H 1 4.464 0.003 16 1 . . . A 4 ILE HA . 19811 1 29 . 1 1 4 4 ILE HB H 1 1.595 0.004 12 1 . . . A 4 ILE HB . 19811 1 30 . 1 1 4 4 ILE HG12 H 1 1.167 0.004 8 2 . . . A 4 ILE HG12 . 19811 1 31 . 1 1 4 4 ILE HG13 H 1 0.926 0.006 8 2 . . . A 4 ILE HG13 . 19811 1 32 . 1 1 4 4 ILE HG21 H 1 0.660 0.005 14 1 . . . A 4 ILE HG21 . 19811 1 33 . 1 1 4 4 ILE HG22 H 1 0.660 0.005 14 1 . . . A 4 ILE HG22 . 19811 1 34 . 1 1 4 4 ILE HG23 H 1 0.660 0.005 14 1 . . . A 4 ILE HG23 . 19811 1 35 . 1 1 4 4 ILE HD11 H 1 0.614 0.005 7 1 . . . A 4 ILE HD11 . 19811 1 36 . 1 1 4 4 ILE HD12 H 1 0.614 0.005 7 1 . . . A 4 ILE HD12 . 19811 1 37 . 1 1 4 4 ILE HD13 H 1 0.614 0.005 7 1 . . . A 4 ILE HD13 . 19811 1 38 . 1 1 4 4 ILE CA C 13 59.314 0.040 8 1 . . . A 4 ILE CA . 19811 1 39 . 1 1 4 4 ILE CB C 13 41.940 0.049 5 1 . . . A 4 ILE CB . 19811 1 40 . 1 1 4 4 ILE CG1 C 13 26.240 0.028 4 1 . . . A 4 ILE CG1 . 19811 1 41 . 1 1 4 4 ILE CG2 C 13 18.424 0.026 8 1 . . . A 4 ILE CG2 . 19811 1 42 . 1 1 4 4 ILE CD1 C 13 14.716 0.036 6 1 . . . A 4 ILE CD1 . 19811 1 43 . 1 1 4 4 ILE N N 15 115.792 0.026 14 1 . . . A 4 ILE N . 19811 1 44 . 1 1 5 5 ASN H H 1 8.457 0.003 28 1 . . . A 5 ASN H . 19811 1 45 . 1 1 5 5 ASN HA H 1 5.438 0.019 21 1 . . . A 5 ASN HA . 19811 1 46 . 1 1 5 5 ASN HB2 H 1 2.896 0.004 19 2 . . . A 5 ASN HB2 . 19811 1 47 . 1 1 5 5 ASN HB3 H 1 2.413 0.003 20 2 . . . A 5 ASN HB3 . 19811 1 48 . 1 1 5 5 ASN HD21 H 1 6.805 0.002 6 2 . . . A 5 ASN HD21 . 19811 1 49 . 1 1 5 5 ASN HD22 H 1 6.775 0.004 7 2 . . . A 5 ASN HD22 . 19811 1 50 . 1 1 5 5 ASN CA C 13 51.594 0.084 11 1 . . . A 5 ASN CA . 19811 1 51 . 1 1 5 5 ASN CB C 13 41.031 0.069 10 1 . . . A 5 ASN CB . 19811 1 52 . 1 1 5 5 ASN N N 15 119.913 0.038 23 1 . . . A 5 ASN N . 19811 1 53 . 1 1 5 5 ASN ND2 N 15 113.907 0.011 11 1 . . . A 5 ASN ND2 . 19811 1 54 . 1 1 6 6 ILE H H 1 9.426 0.009 30 1 . . . A 6 ILE H . 19811 1 55 . 1 1 6 6 ILE HA H 1 5.035 0.004 18 1 . . . A 6 ILE HA . 19811 1 56 . 1 1 6 6 ILE HB H 1 2.079 0.006 21 1 . . . A 6 ILE HB . 19811 1 57 . 1 1 6 6 ILE HG12 H 1 1.362 0.003 7 2 . . . A 6 ILE HG12 . 19811 1 58 . 1 1 6 6 ILE HG13 H 1 1.174 0.006 7 2 . . . A 6 ILE HG13 . 19811 1 59 . 1 1 6 6 ILE HG21 H 1 0.699 0.003 8 1 . . . A 6 ILE HG21 . 19811 1 60 . 1 1 6 6 ILE HG22 H 1 0.699 0.003 8 1 . . . A 6 ILE HG22 . 19811 1 61 . 1 1 6 6 ILE HG23 H 1 0.699 0.003 8 1 . . . A 6 ILE HG23 . 19811 1 62 . 1 1 6 6 ILE HD11 H 1 0.689 0.004 6 1 . . . A 6 ILE HD11 . 19811 1 63 . 1 1 6 6 ILE HD12 H 1 0.689 0.004 6 1 . . . A 6 ILE HD12 . 19811 1 64 . 1 1 6 6 ILE HD13 H 1 0.689 0.004 6 1 . . . A 6 ILE HD13 . 19811 1 65 . 1 1 6 6 ILE CA C 13 57.857 0.098 10 1 . . . A 6 ILE CA . 19811 1 66 . 1 1 6 6 ILE CB C 13 38.947 0.075 5 1 . . . A 6 ILE CB . 19811 1 67 . 1 1 6 6 ILE CG1 C 13 27.582 0.092 5 1 . . . A 6 ILE CG1 . 19811 1 68 . 1 1 6 6 ILE CG2 C 13 19.273 0.056 5 1 . . . A 6 ILE CG2 . 19811 1 69 . 1 1 6 6 ILE CD1 C 13 13.192 0.029 5 1 . . . A 6 ILE CD1 . 19811 1 70 . 1 1 6 6 ILE N N 15 122.674 0.017 26 1 . . . A 6 ILE N . 19811 1 71 . 1 1 7 7 THR H H 1 9.152 0.005 28 1 . . . A 7 THR H . 19811 1 72 . 1 1 7 7 THR HA H 1 4.512 0.003 13 1 . . . A 7 THR HA . 19811 1 73 . 1 1 7 7 THR HB H 1 3.986 0.005 12 1 . . . A 7 THR HB . 19811 1 74 . 1 1 7 7 THR HG21 H 1 1.216 0.005 10 1 . . . A 7 THR HG21 . 19811 1 75 . 1 1 7 7 THR HG22 H 1 1.216 0.005 10 1 . . . A 7 THR HG22 . 19811 1 76 . 1 1 7 7 THR HG23 H 1 1.216 0.005 10 1 . . . A 7 THR HG23 . 19811 1 77 . 1 1 7 7 THR CA C 13 62.639 0.103 9 1 . . . A 7 THR CA . 19811 1 78 . 1 1 7 7 THR CB C 13 69.074 0.100 5 1 . . . A 7 THR CB . 19811 1 79 . 1 1 7 7 THR CG2 C 13 22.539 0.028 4 1 . . . A 7 THR CG2 . 19811 1 80 . 1 1 7 7 THR N N 15 124.398 0.021 27 1 . . . A 7 THR N . 19811 1 81 . 1 1 8 8 LEU H H 1 8.992 0.002 30 1 . . . A 8 LEU H . 19811 1 82 . 1 1 8 8 LEU HA H 1 4.601 0.005 16 1 . . . A 8 LEU HA . 19811 1 83 . 1 1 8 8 LEU HB2 H 1 1.972 0.005 6 2 . . . A 8 LEU HB2 . 19811 1 84 . 1 1 8 8 LEU HB3 H 1 1.583 0.005 6 2 . . . A 8 LEU HB3 . 19811 1 85 . 1 1 8 8 LEU HG H 1 1.721 0.006 2 1 . . . A 8 LEU HG . 19811 1 86 . 1 1 8 8 LEU HD11 H 1 0.843 0.006 2 2 . . . A 8 LEU HD11 . 19811 1 87 . 1 1 8 8 LEU HD12 H 1 0.843 0.006 2 2 . . . A 8 LEU HD12 . 19811 1 88 . 1 1 8 8 LEU HD13 H 1 0.843 0.006 2 2 . . . A 8 LEU HD13 . 19811 1 89 . 1 1 8 8 LEU HD21 H 1 0.761 0.000 1 2 . . . A 8 LEU HD21 . 19811 1 90 . 1 1 8 8 LEU HD22 H 1 0.761 0.000 1 2 . . . A 8 LEU HD22 . 19811 1 91 . 1 1 8 8 LEU HD23 H 1 0.761 0.000 1 2 . . . A 8 LEU HD23 . 19811 1 92 . 1 1 8 8 LEU CA C 13 53.537 0.056 12 1 . . . A 8 LEU CA . 19811 1 93 . 1 1 8 8 LEU CB C 13 39.928 0.015 5 1 . . . A 8 LEU CB . 19811 1 94 . 1 1 8 8 LEU N N 15 127.909 0.025 26 1 . . . A 8 LEU N . 19811 1 95 . 1 1 9 9 PRO HA H 1 4.419 0.005 6 1 . . . A 9 PRO HA . 19811 1 96 . 1 1 9 9 PRO HB2 H 1 2.457 0.006 8 2 . . . A 9 PRO HB2 . 19811 1 97 . 1 1 9 9 PRO HB3 H 1 1.944 0.006 2 2 . . . A 9 PRO HB3 . 19811 1 98 . 1 1 9 9 PRO HG2 H 1 1.973 0.008 2 2 . . . A 9 PRO HG2 . 19811 1 99 . 1 1 9 9 PRO HG3 H 1 1.973 0.008 2 2 . . . A 9 PRO HG3 . 19811 1 100 . 1 1 9 9 PRO HD2 H 1 3.692 0.021 5 2 . . . A 9 PRO HD2 . 19811 1 101 . 1 1 9 9 PRO HD3 H 1 3.692 0.021 5 2 . . . A 9 PRO HD3 . 19811 1 102 . 1 1 9 9 PRO CA C 13 65.184 0.028 3 1 . . . A 9 PRO CA . 19811 1 103 . 1 1 9 9 PRO CB C 13 31.999 0.012 4 1 . . . A 9 PRO CB . 19811 1 104 . 1 1 9 9 PRO CG C 13 27.708 0.000 1 1 . . . A 9 PRO CG . 19811 1 105 . 1 1 9 9 PRO CD C 13 50.611 0.000 1 1 . . . A 9 PRO CD . 19811 1 106 . 1 1 10 10 ASP H H 1 7.678 0.002 22 1 . . . A 10 ASP H . 19811 1 107 . 1 1 10 10 ASP HA H 1 4.490 0.007 9 1 . . . A 10 ASP HA . 19811 1 108 . 1 1 10 10 ASP HB2 H 1 2.991 0.008 8 2 . . . A 10 ASP HB2 . 19811 1 109 . 1 1 10 10 ASP HB3 H 1 2.530 0.008 8 2 . . . A 10 ASP HB3 . 19811 1 110 . 1 1 10 10 ASP CA C 13 53.129 0.058 5 1 . . . A 10 ASP CA . 19811 1 111 . 1 1 10 10 ASP CB C 13 39.986 0.075 4 1 . . . A 10 ASP CB . 19811 1 112 . 1 1 10 10 ASP N N 15 113.521 0.010 21 1 . . . A 10 ASP N . 19811 1 113 . 1 1 11 11 GLY H H 1 8.376 0.002 24 1 . . . A 11 GLY H . 19811 1 114 . 1 1 11 11 GLY HA2 H 1 4.275 0.001 2 2 . . . A 11 GLY HA2 . 19811 1 115 . 1 1 11 11 GLY HA3 H 1 3.561 0.004 5 2 . . . A 11 GLY HA3 . 19811 1 116 . 1 1 11 11 GLY CA C 13 45.218 0.066 2 1 . . . A 11 GLY CA . 19811 1 117 . 1 1 11 11 GLY N N 15 108.658 0.018 21 1 . . . A 11 GLY N . 19811 1 118 . 1 1 12 12 LYS H H 1 7.766 0.006 20 1 . . . A 12 LYS H . 19811 1 119 . 1 1 12 12 LYS HA H 1 4.331 0.005 11 1 . . . A 12 LYS HA . 19811 1 120 . 1 1 12 12 LYS HG2 H 1 1.401 0.009 3 2 . . . A 12 LYS HB2 . 19811 1 121 . 1 1 12 12 LYS HG3 H 1 1.319 0.000 1 2 . . . A 12 LYS HB3 . 19811 1 122 . 1 1 12 12 LYS HB2 H 1 1.996 0.009 7 2 . . . A 12 LYS HG2 . 19811 1 123 . 1 1 12 12 LYS HB3 H 1 1.813 0.007 7 2 . . . A 12 LYS HG3 . 19811 1 124 . 1 1 12 12 LYS HD2 H 1 1.665 0.006 2 2 . . . A 12 LYS HD2 . 19811 1 125 . 1 1 12 12 LYS HD3 H 1 1.665 0.006 2 2 . . . A 12 LYS HD3 . 19811 1 126 . 1 1 12 12 LYS HE2 H 1 2.947 0.015 3 2 . . . A 12 LYS HE2 . 19811 1 127 . 1 1 12 12 LYS HE3 H 1 2.947 0.015 3 2 . . . A 12 LYS HE3 . 19811 1 128 . 1 1 12 12 LYS CA C 13 56.660 0.069 6 1 . . . A 12 LYS CA . 19811 1 129 . 1 1 12 12 LYS CB C 13 33.199 0.058 6 1 . . . A 12 LYS CB . 19811 1 130 . 1 1 12 12 LYS CG C 13 25.855 0.000 1 1 . . . A 12 LYS CG . 19811 1 131 . 1 1 12 12 LYS CD C 13 28.805 0.000 1 1 . . . A 12 LYS CD . 19811 1 132 . 1 1 12 12 LYS CE C 13 42.284 0.000 1 1 . . . A 12 LYS CE . 19811 1 133 . 1 1 12 12 LYS N N 15 121.449 0.050 17 1 . . . A 12 LYS N . 19811 1 134 . 1 1 13 13 THR H H 1 8.248 0.002 29 1 . . . A 13 THR H . 19811 1 135 . 1 1 13 13 THR HA H 1 5.193 0.004 13 1 . . . A 13 THR HA . 19811 1 136 . 1 1 13 13 THR HB H 1 3.826 0.005 8 1 . . . A 13 THR HB . 19811 1 137 . 1 1 13 13 THR HG21 H 1 1.016 0.008 18 1 . . . A 13 THR HG21 . 19811 1 138 . 1 1 13 13 THR HG22 H 1 1.016 0.008 18 1 . . . A 13 THR HG22 . 19811 1 139 . 1 1 13 13 THR HG23 H 1 1.016 0.008 18 1 . . . A 13 THR HG23 . 19811 1 140 . 1 1 13 13 THR CA C 13 61.734 0.073 7 1 . . . A 13 THR CA . 19811 1 141 . 1 1 13 13 THR CB C 13 71.481 0.091 5 1 . . . A 13 THR CB . 19811 1 142 . 1 1 13 13 THR CG2 C 13 21.746 0.015 7 1 . . . A 13 THR CG2 . 19811 1 143 . 1 1 13 13 THR N N 15 113.928 0.010 27 1 . . . A 13 THR N . 19811 1 144 . 1 1 14 14 LEU H H 1 9.270 0.003 29 1 . . . A 14 LEU H . 19811 1 145 . 1 1 14 14 LEU HA H 1 4.739 0.005 14 1 . . . A 14 LEU HA . 19811 1 146 . 1 1 14 14 LEU HB2 H 1 1.647 0.006 13 2 . . . A 14 LEU HB2 . 19811 1 147 . 1 1 14 14 LEU HB3 H 1 1.475 0.005 10 2 . . . A 14 LEU HB3 . 19811 1 148 . 1 1 14 14 LEU HD11 H 1 0.905 0.001 9 2 . . . A 14 LEU HD11 . 19811 1 149 . 1 1 14 14 LEU HD12 H 1 0.905 0.001 9 2 . . . A 14 LEU HD12 . 19811 1 150 . 1 1 14 14 LEU HD13 H 1 0.905 0.001 9 2 . . . A 14 LEU HD13 . 19811 1 151 . 1 1 14 14 LEU HD21 H 1 0.842 0.004 5 2 . . . A 14 LEU HD21 . 19811 1 152 . 1 1 14 14 LEU HD22 H 1 0.842 0.004 5 2 . . . A 14 LEU HD22 . 19811 1 153 . 1 1 14 14 LEU HD23 H 1 0.842 0.004 5 2 . . . A 14 LEU HD23 . 19811 1 154 . 1 1 14 14 LEU CA C 13 53.403 0.058 8 1 . . . A 14 LEU CA . 19811 1 155 . 1 1 14 14 LEU CB C 13 45.480 0.055 9 1 . . . A 14 LEU CB . 19811 1 156 . 1 1 14 14 LEU CG C 13 27.046 0.000 1 1 . . . A 14 LEU CG . 19811 1 157 . 1 1 14 14 LEU CD1 C 13 25.267 0.059 10 2 . . . A 14 LEU CD1 . 19811 1 158 . 1 1 14 14 LEU CD2 C 13 25.267 0.059 10 2 . . . A 14 LEU CD2 . 19811 1 159 . 1 1 14 14 LEU N N 15 128.446 0.048 27 1 . . . A 14 LEU N . 19811 1 160 . 1 1 15 15 THR H H 1 8.759 0.004 25 1 . . . A 15 THR H . 19811 1 161 . 1 1 15 15 THR HA H 1 5.191 0.002 9 1 . . . A 15 THR HA . 19811 1 162 . 1 1 15 15 THR HB H 1 3.800 0.005 6 1 . . . A 15 THR HB . 19811 1 163 . 1 1 15 15 THR HG21 H 1 1.152 0.002 12 1 . . . A 15 THR HG21 . 19811 1 164 . 1 1 15 15 THR HG22 H 1 1.152 0.002 12 1 . . . A 15 THR HG22 . 19811 1 165 . 1 1 15 15 THR HG23 H 1 1.152 0.002 12 1 . . . A 15 THR HG23 . 19811 1 166 . 1 1 15 15 THR CA C 13 61.986 0.088 4 1 . . . A 15 THR CA . 19811 1 167 . 1 1 15 15 THR CB C 13 70.339 0.056 4 1 . . . A 15 THR CB . 19811 1 168 . 1 1 15 15 THR CG2 C 13 21.666 0.015 7 1 . . . A 15 THR CG2 . 19811 1 169 . 1 1 15 15 THR N N 15 123.048 0.027 24 1 . . . A 15 THR N . 19811 1 170 . 1 1 16 16 LEU H H 1 8.551 0.002 25 1 . . . A 16 LEU H . 19811 1 171 . 1 1 16 16 LEU HA H 1 4.770 0.006 17 1 . . . A 16 LEU HA . 19811 1 172 . 1 1 16 16 LEU HB2 H 1 1.451 0.006 11 2 . . . A 16 LEU HB2 . 19811 1 173 . 1 1 16 16 LEU HB3 H 1 1.261 0.006 8 2 . . . A 16 LEU HB3 . 19811 1 174 . 1 1 16 16 LEU HD11 H 1 0.815 0.003 15 2 . . . A 16 LEU HD11 . 19811 1 175 . 1 1 16 16 LEU HD12 H 1 0.815 0.003 15 2 . . . A 16 LEU HD12 . 19811 1 176 . 1 1 16 16 LEU HD13 H 1 0.815 0.003 15 2 . . . A 16 LEU HD13 . 19811 1 177 . 1 1 16 16 LEU HD21 H 1 0.713 0.005 13 2 . . . A 16 LEU HD21 . 19811 1 178 . 1 1 16 16 LEU HD22 H 1 0.713 0.005 13 2 . . . A 16 LEU HD22 . 19811 1 179 . 1 1 16 16 LEU HD23 H 1 0.713 0.005 13 2 . . . A 16 LEU HD23 . 19811 1 180 . 1 1 16 16 LEU CA C 13 53.222 0.044 9 1 . . . A 16 LEU CA . 19811 1 181 . 1 1 16 16 LEU CB C 13 45.322 0.030 6 1 . . . A 16 LEU CB . 19811 1 182 . 1 1 16 16 LEU CG C 13 26.627 0.000 1 1 . . . A 16 LEU CG . 19811 1 183 . 1 1 16 16 LEU CD1 C 13 24.494 0.028 9 2 . . . A 16 LEU CD1 . 19811 1 184 . 1 1 16 16 LEU CD2 C 13 26.441 0.048 8 2 . . . A 16 LEU CD2 . 19811 1 185 . 1 1 16 16 LEU N N 15 125.874 0.047 24 1 . . . A 16 LEU N . 19811 1 186 . 1 1 17 17 THR H H 1 8.342 0.002 21 1 . . . A 17 THR H . 19811 1 187 . 1 1 17 17 THR HA H 1 4.629 0.001 10 1 . . . A 17 THR HA . 19811 1 188 . 1 1 17 17 THR HB H 1 3.931 0.005 7 1 . . . A 17 THR HB . 19811 1 189 . 1 1 17 17 THR HG21 H 1 1.113 0.007 6 1 . . . A 17 THR HG21 . 19811 1 190 . 1 1 17 17 THR HG22 H 1 1.113 0.007 6 1 . . . A 17 THR HG22 . 19811 1 191 . 1 1 17 17 THR HG23 H 1 1.113 0.007 6 1 . . . A 17 THR HG23 . 19811 1 192 . 1 1 17 17 THR CA C 13 61.950 0.047 6 1 . . . A 17 THR CA . 19811 1 193 . 1 1 17 17 THR CB C 13 69.202 0.034 4 1 . . . A 17 THR CB . 19811 1 194 . 1 1 17 17 THR CG2 C 13 22.062 0.004 2 1 . . . A 17 THR CG2 . 19811 1 195 . 1 1 17 17 THR N N 15 117.080 0.030 21 1 . . . A 17 THR N . 19811 1 196 . 1 1 18 18 VAL H H 1 8.131 0.003 20 1 . . . A 18 VAL H . 19811 1 197 . 1 1 18 18 VAL HA H 1 3.910 0.006 14 1 . . . A 18 VAL HA . 19811 1 198 . 1 1 18 18 VAL HB H 1 1.437 0.005 14 1 . . . A 18 VAL HB . 19811 1 199 . 1 1 18 18 VAL HG11 H 1 0.359 0.004 13 2 . . . A 18 VAL HG11 . 19811 1 200 . 1 1 18 18 VAL HG12 H 1 0.359 0.004 13 2 . . . A 18 VAL HG12 . 19811 1 201 . 1 1 18 18 VAL HG13 H 1 0.359 0.004 13 2 . . . A 18 VAL HG13 . 19811 1 202 . 1 1 18 18 VAL HG21 H 1 0.302 0.000 8 2 . . . A 18 VAL HG21 . 19811 1 203 . 1 1 18 18 VAL HG22 H 1 0.302 0.000 8 2 . . . A 18 VAL HG22 . 19811 1 204 . 1 1 18 18 VAL HG23 H 1 0.302 0.000 8 2 . . . A 18 VAL HG23 . 19811 1 205 . 1 1 18 18 VAL CA C 13 58.565 0.074 7 1 . . . A 18 VAL CA . 19811 1 206 . 1 1 18 18 VAL CB C 13 35.910 0.061 8 1 . . . A 18 VAL CB . 19811 1 207 . 1 1 18 18 VAL CG1 C 13 22.124 0.053 8 2 . . . A 18 VAL CG1 . 19811 1 208 . 1 1 18 18 VAL CG2 C 13 17.802 0.025 7 2 . . . A 18 VAL CG2 . 19811 1 209 . 1 1 18 18 VAL N N 15 116.699 0.027 19 1 . . . A 18 VAL N . 19811 1 210 . 1 1 19 19 THR H H 1 6.219 0.002 28 1 . . . A 19 THR H . 19811 1 211 . 1 1 19 19 THR HA H 1 4.807 0.003 8 1 . . . A 19 THR HA . 19811 1 212 . 1 1 19 19 THR HB H 1 4.594 0.002 8 1 . . . A 19 THR HB . 19811 1 213 . 1 1 19 19 THR HG21 H 1 1.176 0.001 7 1 . . . A 19 THR HG21 . 19811 1 214 . 1 1 19 19 THR HG22 H 1 1.176 0.001 7 1 . . . A 19 THR HG22 . 19811 1 215 . 1 1 19 19 THR HG23 H 1 1.176 0.001 7 1 . . . A 19 THR HG23 . 19811 1 216 . 1 1 19 19 THR CA C 13 58.916 0.019 6 1 . . . A 19 THR CA . 19811 1 217 . 1 1 19 19 THR CB C 13 68.674 0.016 4 1 . . . A 19 THR CB . 19811 1 218 . 1 1 19 19 THR CG2 C 13 21.732 0.009 3 1 . . . A 19 THR CG2 . 19811 1 219 . 1 1 19 19 THR N N 15 110.389 0.028 24 1 . . . A 19 THR N . 19811 1 220 . 1 1 20 20 PRO HA H 1 4.382 0.008 12 1 . . . A 20 PRO HA . 19811 1 221 . 1 1 20 20 PRO HB2 H 1 2.406 0.003 11 2 . . . A 20 PRO HB2 . 19811 1 222 . 1 1 20 20 PRO HB3 H 1 1.915 0.003 6 2 . . . A 20 PRO HB3 . 19811 1 223 . 1 1 20 20 PRO HD2 H 1 3.874 0.020 3 2 . . . A 20 PRO HG2 . 19811 1 224 . 1 1 20 20 PRO HD3 H 1 3.874 0.020 3 2 . . . A 20 PRO HG3 . 19811 1 225 . 1 1 20 20 PRO HG2 H 1 2.115 0.000 1 2 . . . A 20 PRO HD2 . 19811 1 226 . 1 1 20 20 PRO HG3 H 1 1.918 0.002 3 2 . . . A 20 PRO HD3 . 19811 1 227 . 1 1 20 20 PRO CA C 13 65.110 0.033 6 1 . . . A 20 PRO CA . 19811 1 228 . 1 1 20 20 PRO CB C 13 31.996 0.014 6 1 . . . A 20 PRO CB . 19811 1 229 . 1 1 20 20 PRO CG C 13 27.996 0.016 4 1 . . . A 20 PRO CG . 19811 1 230 . 1 1 20 20 PRO CD C 13 51.118 0.000 1 1 . . . A 20 PRO CD . 19811 1 231 . 1 1 21 21 GLU H H 1 7.960 0.008 27 1 . . . A 21 GLU H . 19811 1 232 . 1 1 21 21 GLU HA H 1 4.350 0.009 15 1 . . . A 21 GLU HA . 19811 1 233 . 1 1 21 21 GLU HB2 H 1 2.190 0.005 6 2 . . . A 21 GLU HB2 . 19811 1 234 . 1 1 21 21 GLU HB3 H 1 1.990 0.007 6 2 . . . A 21 GLU HB3 . 19811 1 235 . 1 1 21 21 GLU HG2 H 1 2.336 0.006 7 2 . . . A 21 GLU HG2 . 19811 1 236 . 1 1 21 21 GLU HG3 H 1 2.218 0.009 2 2 . . . A 21 GLU HG3 . 19811 1 237 . 1 1 21 21 GLU CA C 13 56.513 0.049 8 1 . . . A 21 GLU CA . 19811 1 238 . 1 1 21 21 GLU CB C 13 29.153 0.046 7 1 . . . A 21 GLU CB . 19811 1 239 . 1 1 21 21 GLU CG C 13 36.780 0.058 3 1 . . . A 21 GLU CG . 19811 1 240 . 1 1 21 21 GLU N N 15 113.087 0.012 24 1 . . . A 21 GLU N . 19811 1 241 . 1 1 22 22 PHE H H 1 7.724 0.002 23 1 . . . A 22 PHE H . 19811 1 242 . 1 1 22 22 PHE HA H 1 4.518 0.005 10 1 . . . A 22 PHE HA . 19811 1 243 . 1 1 22 22 PHE HB2 H 1 3.560 0.005 10 2 . . . A 22 PHE HB2 . 19811 1 244 . 1 1 22 22 PHE HB3 H 1 2.926 0.003 13 2 . . . A 22 PHE HB3 . 19811 1 245 . 1 1 22 22 PHE HD1 H 1 7.262 0.006 11 3 . . . A 22 PHE HD1 . 19811 1 246 . 1 1 22 22 PHE HD2 H 1 7.262 0.006 11 3 . . . A 22 PHE HD2 . 19811 1 247 . 1 1 22 22 PHE CA C 13 58.778 0.048 7 1 . . . A 22 PHE CA . 19811 1 248 . 1 1 22 22 PHE CB C 13 40.224 0.002 2 1 . . . A 22 PHE CB . 19811 1 249 . 1 1 22 22 PHE N N 15 123.828 0.047 20 1 . . . A 22 PHE N . 19811 1 250 . 1 1 23 23 THR H H 1 8.504 0.004 28 1 . . . A 23 THR H . 19811 1 251 . 1 1 23 23 THR HA H 1 4.791 0.007 16 1 . . . A 23 THR HA . 19811 1 252 . 1 1 23 23 THR HB H 1 4.548 0.004 10 1 . . . A 23 THR HB . 19811 1 253 . 1 1 23 23 THR HG21 H 1 1.244 0.003 7 1 . . . A 23 THR HG21 . 19811 1 254 . 1 1 23 23 THR HG22 H 1 1.244 0.003 7 1 . . . A 23 THR HG22 . 19811 1 255 . 1 1 23 23 THR HG23 H 1 1.244 0.003 7 1 . . . A 23 THR HG23 . 19811 1 256 . 1 1 23 23 THR CA C 13 60.340 0.017 6 1 . . . A 23 THR CA . 19811 1 257 . 1 1 23 23 THR CB C 13 71.791 0.010 5 1 . . . A 23 THR CB . 19811 1 258 . 1 1 23 23 THR CG2 C 13 22.188 0.045 3 1 . . . A 23 THR CG2 . 19811 1 259 . 1 1 23 23 THR N N 15 114.031 0.023 26 1 . . . A 23 THR N . 19811 1 260 . 1 1 24 24 VAL H H 1 8.918 0.004 32 1 . . . A 24 VAL H . 19811 1 261 . 1 1 24 24 VAL HA H 1 3.427 0.003 19 1 . . . A 24 VAL HA . 19811 1 262 . 1 1 24 24 VAL HB H 1 2.509 0.005 14 1 . . . A 24 VAL HB . 19811 1 263 . 1 1 24 24 VAL HG11 H 1 0.901 0.003 13 2 . . . A 24 VAL HG11 . 19811 1 264 . 1 1 24 24 VAL HG12 H 1 0.901 0.003 13 2 . . . A 24 VAL HG12 . 19811 1 265 . 1 1 24 24 VAL HG13 H 1 0.901 0.003 13 2 . . . A 24 VAL HG13 . 19811 1 266 . 1 1 24 24 VAL HG21 H 1 0.674 0.003 12 2 . . . A 24 VAL HG21 . 19811 1 267 . 1 1 24 24 VAL HG22 H 1 0.674 0.003 12 2 . . . A 24 VAL HG22 . 19811 1 268 . 1 1 24 24 VAL HG23 H 1 0.674 0.003 12 2 . . . A 24 VAL HG23 . 19811 1 269 . 1 1 24 24 VAL CA C 13 66.745 0.048 10 1 . . . A 24 VAL CA . 19811 1 270 . 1 1 24 24 VAL CB C 13 30.735 0.021 5 1 . . . A 24 VAL CB . 19811 1 271 . 1 1 24 24 VAL CG1 C 13 23.995 0.055 6 2 . . . A 24 VAL CG1 . 19811 1 272 . 1 1 24 24 VAL CG2 C 13 21.330 0.011 7 2 . . . A 24 VAL CG2 . 19811 1 273 . 1 1 24 24 VAL N N 15 122.541 0.044 27 1 . . . A 24 VAL N . 19811 1 274 . 1 1 25 25 LYS H H 1 8.622 0.004 28 1 . . . A 25 LYS H . 19811 1 275 . 1 1 25 25 LYS HA H 1 3.912 0.005 18 1 . . . A 25 LYS HA . 19811 1 276 . 1 1 25 25 LYS HB2 H 1 1.900 0.004 13 2 . . . A 25 LYS HB2 . 19811 1 277 . 1 1 25 25 LYS HB3 H 1 1.665 0.004 6 2 . . . A 25 LYS HB3 . 19811 1 278 . 1 1 25 25 LYS HG2 H 1 1.350 0.003 7 2 . . . A 25 LYS HG2 . 19811 1 279 . 1 1 25 25 LYS HG3 H 1 1.209 0.004 7 2 . . . A 25 LYS HG3 . 19811 1 280 . 1 1 25 25 LYS HD2 H 1 1.564 0.004 7 2 . . . A 25 LYS HD2 . 19811 1 281 . 1 1 25 25 LYS HD3 H 1 1.564 0.004 7 2 . . . A 25 LYS HD3 . 19811 1 282 . 1 1 25 25 LYS HE2 H 1 2.901 0.008 4 2 . . . A 25 LYS HE2 . 19811 1 283 . 1 1 25 25 LYS HE3 H 1 2.901 0.008 4 2 . . . A 25 LYS HE3 . 19811 1 284 . 1 1 25 25 LYS CA C 13 59.950 0.050 14 1 . . . A 25 LYS CA . 19811 1 285 . 1 1 25 25 LYS CB C 13 32.824 0.110 8 1 . . . A 25 LYS CB . 19811 1 286 . 1 1 25 25 LYS CG C 13 24.207 0.027 5 1 . . . A 25 LYS CG . 19811 1 287 . 1 1 25 25 LYS CD C 13 29.686 0.050 5 1 . . . A 25 LYS CD . 19811 1 288 . 1 1 25 25 LYS CE C 13 42.127 0.000 1 1 . . . A 25 LYS CE . 19811 1 289 . 1 1 25 25 LYS N N 15 121.079 0.065 25 1 . . . A 25 LYS N . 19811 1 290 . 1 1 26 26 GLU H H 1 7.734 0.003 38 1 . . . A 26 GLU H . 19811 1 291 . 1 1 26 26 GLU HA H 1 3.859 0.004 11 1 . . . A 26 GLU HA . 19811 1 292 . 1 1 26 26 GLU HB2 H 1 1.716 0.008 8 2 . . . A 26 GLU HB2 . 19811 1 293 . 1 1 26 26 GLU HB3 H 1 1.407 0.005 8 2 . . . A 26 GLU HB3 . 19811 1 294 . 1 1 26 26 GLU HG2 H 1 2.002 0.006 3 2 . . . A 26 GLU HG2 . 19811 1 295 . 1 1 26 26 GLU HG3 H 1 1.933 0.005 4 2 . . . A 26 GLU HG3 . 19811 1 296 . 1 1 26 26 GLU CA C 13 59.012 0.086 5 1 . . . A 26 GLU CA . 19811 1 297 . 1 1 26 26 GLU CB C 13 29.344 0.031 4 1 . . . A 26 GLU CB . 19811 1 298 . 1 1 26 26 GLU CG C 13 37.402 0.067 7 1 . . . A 26 GLU CG . 19811 1 299 . 1 1 26 26 GLU N N 15 118.646 0.035 34 1 . . . A 26 GLU N . 19811 1 300 . 1 1 27 27 LEU H H 1 8.000 0.002 33 1 . . . A 27 LEU H . 19811 1 301 . 1 1 27 27 LEU HA H 1 4.136 0.007 20 1 . . . A 27 LEU HA . 19811 1 302 . 1 1 27 27 LEU HB2 H 1 2.092 0.005 17 2 . . . A 27 LEU HB2 . 19811 1 303 . 1 1 27 27 LEU HB3 H 1 1.566 0.010 10 2 . . . A 27 LEU HB3 . 19811 1 304 . 1 1 27 27 LEU HD11 H 1 0.907 0.003 9 2 . . . A 27 LEU HG . 19811 1 305 . 1 1 27 27 LEU HD12 H 1 0.907 0.003 9 2 . . . A 27 LEU HD11 . 19811 1 306 . 1 1 27 27 LEU HD13 H 1 0.907 0.003 9 2 . . . A 27 LEU HD12 . 19811 1 307 . 1 1 27 27 LEU HD21 H 1 0.796 0.004 3 2 . . . A 27 LEU HD13 . 19811 1 308 . 1 1 27 27 LEU HD22 H 1 0.796 0.004 3 2 . . . A 27 LEU HD21 . 19811 1 309 . 1 1 27 27 LEU HD23 H 1 0.796 0.004 3 2 . . . A 27 LEU HD22 . 19811 1 310 . 1 1 27 27 LEU HG H 1 0.800 0.002 5 1 . . . A 27 LEU HD23 . 19811 1 311 . 1 1 27 27 LEU CA C 13 58.226 0.058 10 1 . . . A 27 LEU CA . 19811 1 312 . 1 1 27 27 LEU CB C 13 41.986 0.048 10 1 . . . A 27 LEU CB . 19811 1 313 . 1 1 27 27 LEU CG C 13 27.068 0.087 6 1 . . . A 27 LEU CG . 19811 1 314 . 1 1 27 27 LEU CD1 C 13 24.666 0.060 5 2 . . . A 27 LEU CD1 . 19811 1 315 . 1 1 27 27 LEU CD2 C 13 24.666 0.060 5 2 . . . A 27 LEU CD2 . 19811 1 316 . 1 1 27 27 LEU N N 15 122.155 0.028 30 1 . . . A 27 LEU N . 19811 1 317 . 1 1 28 28 ALA H H 1 8.899 0.002 34 1 . . . A 28 ALA H . 19811 1 318 . 1 1 28 28 ALA HA H 1 3.837 0.004 13 1 . . . A 28 ALA HA . 19811 1 319 . 1 1 28 28 ALA HB1 H 1 1.473 0.003 9 1 . . . A 28 ALA HB1 . 19811 1 320 . 1 1 28 28 ALA HB2 H 1 1.473 0.003 9 1 . . . A 28 ALA HB2 . 19811 1 321 . 1 1 28 28 ALA HB3 H 1 1.473 0.003 9 1 . . . A 28 ALA HB3 . 19811 1 322 . 1 1 28 28 ALA CA C 13 55.872 0.016 5 1 . . . A 28 ALA CA . 19811 1 323 . 1 1 28 28 ALA CB C 13 17.902 0.168 5 1 . . . A 28 ALA CB . 19811 1 324 . 1 1 28 28 ALA N N 15 121.362 0.014 29 1 . . . A 28 ALA N . 19811 1 325 . 1 1 29 29 GLU H H 1 8.437 0.004 23 1 . . . A 29 GLU H . 19811 1 326 . 1 1 29 29 GLU HA H 1 3.814 0.007 10 1 . . . A 29 GLU HA . 19811 1 327 . 1 1 29 29 GLU HB2 H 1 2.161 0.007 8 2 . . . A 29 GLU HB2 . 19811 1 328 . 1 1 29 29 GLU HB3 H 1 1.964 0.007 7 2 . . . A 29 GLU HB3 . 19811 1 329 . 1 1 29 29 GLU HG2 H 1 2.537 0.003 4 2 . . . A 29 GLU HG2 . 19811 1 330 . 1 1 29 29 GLU HG3 H 1 2.538 0.003 6 2 . . . A 29 GLU HG3 . 19811 1 331 . 1 1 29 29 GLU CA C 13 59.849 0.053 6 1 . . . A 29 GLU CA . 19811 1 332 . 1 1 29 29 GLU CB C 13 29.185 0.037 5 1 . . . A 29 GLU CB . 19811 1 333 . 1 1 29 29 GLU CG C 13 37.129 0.013 4 1 . . . A 29 GLU CG . 19811 1 334 . 1 1 29 29 GLU N N 15 116.582 0.017 20 1 . . . A 29 GLU N . 19811 1 335 . 1 1 30 30 GLU H H 1 7.877 0.002 25 1 . . . A 30 GLU H . 19811 1 336 . 1 1 30 30 GLU HA H 1 4.293 0.005 13 1 . . . A 30 GLU HA . 19811 1 337 . 1 1 30 30 GLU HB2 H 1 2.328 0.004 14 2 . . . A 30 GLU HB2 . 19811 1 338 . 1 1 30 30 GLU HB3 H 1 2.117 0.005 8 2 . . . A 30 GLU HB3 . 19811 1 339 . 1 1 30 30 GLU HG2 H 1 2.659 0.002 6 2 . . . A 30 GLU HG2 . 19811 1 340 . 1 1 30 30 GLU HG3 H 1 2.122 0.003 5 2 . . . A 30 GLU HG3 . 19811 1 341 . 1 1 30 30 GLU CA C 13 58.829 0.170 5 1 . . . A 30 GLU CA . 19811 1 342 . 1 1 30 30 GLU CB C 13 28.720 0.104 8 1 . . . A 30 GLU CB . 19811 1 343 . 1 1 30 30 GLU CG C 13 35.438 0.046 8 1 . . . A 30 GLU CG . 19811 1 344 . 1 1 30 30 GLU N N 15 121.430 0.032 23 1 . . . A 30 GLU N . 19811 1 345 . 1 1 31 31 ILE H H 1 8.438 0.003 30 1 . . . A 31 ILE H . 19811 1 346 . 1 1 31 31 ILE HA H 1 3.289 0.005 13 1 . . . A 31 ILE HA . 19811 1 347 . 1 1 31 31 ILE HB H 1 1.737 0.007 10 1 . . . A 31 ILE HB . 19811 1 348 . 1 1 31 31 ILE HD11 H 1 0.750 0.005 11 1 . . . A 31 ILE HG21 . 19811 1 349 . 1 1 31 31 ILE HD12 H 1 0.750 0.005 11 1 . . . A 31 ILE HG22 . 19811 1 350 . 1 1 31 31 ILE HD13 H 1 0.750 0.005 11 1 . . . A 31 ILE HG23 . 19811 1 351 . 1 1 31 31 ILE HG21 H 1 0.732 0.001 5 1 . . . A 31 ILE HD11 . 19811 1 352 . 1 1 31 31 ILE HG22 H 1 0.732 0.001 5 1 . . . A 31 ILE HD12 . 19811 1 353 . 1 1 31 31 ILE HG23 H 1 0.732 0.001 5 1 . . . A 31 ILE HD13 . 19811 1 354 . 1 1 31 31 ILE CA C 13 65.937 0.033 5 1 . . . A 31 ILE CA . 19811 1 355 . 1 1 31 31 ILE CB C 13 38.338 0.074 4 1 . . . A 31 ILE CB . 19811 1 356 . 1 1 31 31 ILE CG1 C 13 29.910 0.000 1 1 . . . A 31 ILE CG1 . 19811 1 357 . 1 1 31 31 ILE CG2 C 13 18.701 0.042 6 1 . . . A 31 ILE CG2 . 19811 1 358 . 1 1 31 31 ILE CD1 C 13 16.452 0.016 9 1 . . . A 31 ILE CD1 . 19811 1 359 . 1 1 31 31 ILE N N 15 119.644 0.038 28 1 . . . A 31 ILE N . 19811 1 360 . 1 1 32 32 ALA H H 1 8.609 0.004 29 1 . . . A 32 ALA H . 19811 1 361 . 1 1 32 32 ALA HA H 1 3.637 0.012 6 1 . . . A 32 ALA HA . 19811 1 362 . 1 1 32 32 ALA HB1 H 1 1.298 0.005 20 1 . . . A 32 ALA HB1 . 19811 1 363 . 1 1 32 32 ALA HB2 H 1 1.298 0.005 20 1 . . . A 32 ALA HB2 . 19811 1 364 . 1 1 32 32 ALA HB3 H 1 1.298 0.005 20 1 . . . A 32 ALA HB3 . 19811 1 365 . 1 1 32 32 ALA CA C 13 56.071 0.098 3 1 . . . A 32 ALA CA . 19811 1 366 . 1 1 32 32 ALA CB C 13 17.287 0.011 7 1 . . . A 32 ALA CB . 19811 1 367 . 1 1 32 32 ALA N N 15 120.190 0.048 24 1 . . . A 32 ALA N . 19811 1 368 . 1 1 33 33 ARG H H 1 7.817 0.002 15 1 . . . A 33 ARG H . 19811 1 369 . 1 1 33 33 ARG HA H 1 4.085 0.004 16 1 . . . A 33 ARG HA . 19811 1 370 . 1 1 33 33 ARG HB2 H 1 2.061 0.003 8 2 . . . A 33 ARG HB2 . 19811 1 371 . 1 1 33 33 ARG HB3 H 1 1.919 0.005 8 2 . . . A 33 ARG HB3 . 19811 1 372 . 1 1 33 33 ARG HG2 H 1 1.801 0.002 5 2 . . . A 33 ARG HG2 . 19811 1 373 . 1 1 33 33 ARG HG3 H 1 1.611 0.004 7 2 . . . A 33 ARG HG3 . 19811 1 374 . 1 1 33 33 ARG HD2 H 1 3.249 0.008 11 2 . . . A 33 ARG HD2 . 19811 1 375 . 1 1 33 33 ARG HD3 H 1 3.249 0.008 11 2 . . . A 33 ARG HD3 . 19811 1 376 . 1 1 33 33 ARG CA C 13 59.367 0.026 10 1 . . . A 33 ARG CA . 19811 1 377 . 1 1 33 33 ARG CB C 13 30.575 0.074 5 1 . . . A 33 ARG CB . 19811 1 378 . 1 1 33 33 ARG CG C 13 28.110 0.059 6 1 . . . A 33 ARG CG . 19811 1 379 . 1 1 33 33 ARG CD C 13 43.283 0.091 5 1 . . . A 33 ARG CD . 19811 1 380 . 1 1 33 33 ARG N N 15 116.846 0.060 14 1 . . . A 33 ARG N . 19811 1 381 . 1 1 34 34 ARG H H 1 7.922 0.001 21 1 . . . A 34 ARG H . 19811 1 382 . 1 1 34 34 ARG HA H 1 4.078 0.003 10 1 . . . A 34 ARG HA . 19811 1 383 . 1 1 34 34 ARG HB2 H 1 1.900 0.007 7 2 . . . A 34 ARG HB2 . 19811 1 384 . 1 1 34 34 ARG HB3 H 1 1.900 0.007 7 2 . . . A 34 ARG HB3 . 19811 1 385 . 1 1 34 34 ARG HD2 H 1 3.240 0.004 6 2 . . . A 34 ARG HG2 . 19811 1 386 . 1 1 34 34 ARG HD3 H 1 2.996 0.004 9 2 . . . A 34 ARG HG3 . 19811 1 387 . 1 1 34 34 ARG HG2 H 1 1.847 0.006 2 2 . . . A 34 ARG HD2 . 19811 1 388 . 1 1 34 34 ARG HG3 H 1 1.847 0.006 2 2 . . . A 34 ARG HD3 . 19811 1 389 . 1 1 34 34 ARG CA C 13 58.321 0.107 5 1 . . . A 34 ARG CA . 19811 1 390 . 1 1 34 34 ARG CB C 13 29.771 0.114 4 1 . . . A 34 ARG CB . 19811 1 391 . 1 1 34 34 ARG CG C 13 27.896 0.000 1 1 . . . A 34 ARG CG . 19811 1 392 . 1 1 34 34 ARG CD C 13 42.929 0.075 3 1 . . . A 34 ARG CD . 19811 1 393 . 1 1 34 34 ARG N N 15 118.212 0.027 21 1 . . . A 34 ARG N . 19811 1 394 . 1 1 35 35 LEU H H 1 7.999 0.001 24 1 . . . A 35 LEU H . 19811 1 395 . 1 1 35 35 LEU HA H 1 4.426 0.004 9 1 . . . A 35 LEU HA . 19811 1 396 . 1 1 35 35 LEU HB2 H 1 1.595 0.009 4 2 . . . A 35 LEU HB2 . 19811 1 397 . 1 1 35 35 LEU HB3 H 1 1.482 0.007 5 2 . . . A 35 LEU HB3 . 19811 1 398 . 1 1 35 35 LEU HD11 H 1 0.789 0.001 6 2 . . . A 35 LEU HG . 19811 1 399 . 1 1 35 35 LEU HD12 H 1 0.789 0.001 6 2 . . . A 35 LEU HD11 . 19811 1 400 . 1 1 35 35 LEU HD13 H 1 0.789 0.001 6 2 . . . A 35 LEU HD12 . 19811 1 401 . 1 1 35 35 LEU HD21 H 1 0.712 0.000 1 2 . . . A 35 LEU HD13 . 19811 1 402 . 1 1 35 35 LEU HD22 H 1 0.712 0.000 1 2 . . . A 35 LEU HD21 . 19811 1 403 . 1 1 35 35 LEU HD23 H 1 0.712 0.000 1 2 . . . A 35 LEU HD22 . 19811 1 404 . 1 1 35 35 LEU HG H 1 1.737 0.009 2 1 . . . A 35 LEU HD23 . 19811 1 405 . 1 1 35 35 LEU CA C 13 54.601 0.040 4 1 . . . A 35 LEU CA . 19811 1 406 . 1 1 35 35 LEU CB C 13 42.895 0.021 3 1 . . . A 35 LEU CB . 19811 1 407 . 1 1 35 35 LEU CG C 13 26.326 0.000 1 1 . . . A 35 LEU CG . 19811 1 408 . 1 1 35 35 LEU CD1 C 13 22.017 0.027 5 2 . . . A 35 LEU CD1 . 19811 1 409 . 1 1 35 35 LEU CD2 C 13 22.017 0.027 5 2 . . . A 35 LEU CD2 . 19811 1 410 . 1 1 35 35 LEU N N 15 115.523 0.038 23 1 . . . A 35 LEU N . 19811 1 411 . 1 1 36 36 GLY H H 1 7.864 0.002 18 1 . . . A 36 GLY H . 19811 1 412 . 1 1 36 36 GLY HA2 H 1 3.945 0.002 5 2 . . . A 36 GLY HA2 . 19811 1 413 . 1 1 36 36 GLY HA3 H 1 3.945 0.002 5 2 . . . A 36 GLY HA3 . 19811 1 414 . 1 1 36 36 GLY CA C 13 46.906 0.057 2 1 . . . A 36 GLY CA . 19811 1 415 . 1 1 36 36 GLY N N 15 110.277 0.047 16 1 . . . A 36 GLY N . 19811 1 416 . 1 1 37 37 LEU H H 1 8.025 0.002 18 1 . . . A 37 LEU H . 19811 1 417 . 1 1 37 37 LEU HA H 1 4.691 0.002 17 1 . . . A 37 LEU HA . 19811 1 418 . 1 1 37 37 LEU HB2 H 1 1.804 0.003 12 2 . . . A 37 LEU HB2 . 19811 1 419 . 1 1 37 37 LEU HB3 H 1 1.238 0.008 8 2 . . . A 37 LEU HB3 . 19811 1 420 . 1 1 37 37 LEU HD11 H 1 0.830 0.001 10 2 . . . A 37 LEU HG . 19811 1 421 . 1 1 37 37 LEU HD12 H 1 0.830 0.001 10 2 . . . A 37 LEU HD11 . 19811 1 422 . 1 1 37 37 LEU HD13 H 1 0.830 0.001 10 2 . . . A 37 LEU HD12 . 19811 1 423 . 1 1 37 37 LEU HD21 H 1 0.735 0.003 4 2 . . . A 37 LEU HD13 . 19811 1 424 . 1 1 37 37 LEU HD22 H 1 0.735 0.003 4 2 . . . A 37 LEU HD21 . 19811 1 425 . 1 1 37 37 LEU HD23 H 1 0.735 0.003 4 2 . . . A 37 LEU HD22 . 19811 1 426 . 1 1 37 37 LEU HG H 1 1.433 0.003 6 1 . . . A 37 LEU HD23 . 19811 1 427 . 1 1 37 37 LEU CA C 13 52.642 0.145 13 1 . . . A 37 LEU CA . 19811 1 428 . 1 1 37 37 LEU CB C 13 45.355 0.062 6 1 . . . A 37 LEU CB . 19811 1 429 . 1 1 37 37 LEU CG C 13 26.517 0.026 2 1 . . . A 37 LEU CG . 19811 1 430 . 1 1 37 37 LEU CD1 C 13 22.373 0.011 6 2 . . . A 37 LEU CD1 . 19811 1 431 . 1 1 37 37 LEU N N 15 119.310 0.044 17 1 . . . A 37 LEU N . 19811 1 432 . 1 1 38 38 SER H H 1 8.662 0.003 23 1 . . . A 38 SER H . 19811 1 433 . 1 1 38 38 SER HA H 1 4.955 0.006 10 1 . . . A 38 SER HA . 19811 1 434 . 1 1 38 38 SER HB2 H 1 3.822 0.004 3 2 . . . A 38 SER HB2 . 19811 1 435 . 1 1 38 38 SER HB3 H 1 3.631 0.002 2 2 . . . A 38 SER HB3 . 19811 1 436 . 1 1 38 38 SER CA C 13 55.376 0.062 6 1 . . . A 38 SER CA . 19811 1 437 . 1 1 38 38 SER CB C 13 63.732 0.101 2 1 . . . A 38 SER CB . 19811 1 438 . 1 1 38 38 SER N N 15 115.906 0.031 21 1 . . . A 38 SER N . 19811 1 439 . 1 1 39 39 PRO HA H 1 3.976 0.009 19 1 . . . A 39 PRO HA . 19811 1 440 . 1 1 39 39 PRO HB2 H 1 2.060 0.001 5 2 . . . A 39 PRO HB2 . 19811 1 441 . 1 1 39 39 PRO HB3 H 1 1.988 0.005 7 2 . . . A 39 PRO HB3 . 19811 1 442 . 1 1 39 39 PRO HG2 H 1 2.176 0.002 4 2 . . . A 39 PRO HG2 . 19811 1 443 . 1 1 39 39 PRO HG3 H 1 1.978 0.002 5 2 . . . A 39 PRO HG3 . 19811 1 444 . 1 1 39 39 PRO HD2 H 1 3.933 0.002 6 2 . . . A 39 PRO HD2 . 19811 1 445 . 1 1 39 39 PRO HD3 H 1 3.800 0.000 2 2 . . . A 39 PRO HD3 . 19811 1 446 . 1 1 39 39 PRO CA C 13 65.434 0.034 9 1 . . . A 39 PRO CA . 19811 1 447 . 1 1 39 39 PRO CB C 13 31.527 0.013 6 1 . . . A 39 PRO CB . 19811 1 448 . 1 1 39 39 PRO CG C 13 28.078 0.024 6 1 . . . A 39 PRO CG . 19811 1 449 . 1 1 39 39 PRO CD C 13 50.585 0.057 7 1 . . . A 39 PRO CD . 19811 1 450 . 1 1 40 40 GLU H H 1 8.455 0.002 20 1 . . . A 40 GLU H . 19811 1 451 . 1 1 40 40 GLU HA H 1 4.115 0.004 14 1 . . . A 40 GLU HA . 19811 1 452 . 1 1 40 40 GLU HB2 H 1 2.020 0.004 6 2 . . . A 40 GLU HB2 . 19811 1 453 . 1 1 40 40 GLU HB3 H 1 1.880 0.011 7 2 . . . A 40 GLU HB3 . 19811 1 454 . 1 1 40 40 GLU HG2 H 1 2.221 0.006 9 2 . . . A 40 GLU HG2 . 19811 1 455 . 1 1 40 40 GLU HG3 H 1 2.221 0.006 9 2 . . . A 40 GLU HG3 . 19811 1 456 . 1 1 40 40 GLU CA C 13 57.861 0.117 9 1 . . . A 40 GLU CA . 19811 1 457 . 1 1 40 40 GLU CB C 13 28.842 0.046 4 1 . . . A 40 GLU CB . 19811 1 458 . 1 1 40 40 GLU CG C 13 36.264 0.037 4 1 . . . A 40 GLU CG . 19811 1 459 . 1 1 40 40 GLU N N 15 115.609 0.028 18 1 . . . A 40 GLU N . 19811 1 460 . 1 1 41 41 ASP H H 1 7.814 0.002 30 1 . . . A 41 ASP H . 19811 1 461 . 1 1 41 41 ASP HA H 1 4.711 0.006 13 1 . . . A 41 ASP HA . 19811 1 462 . 1 1 41 41 ASP HB2 H 1 2.939 0.003 7 2 . . . A 41 ASP HB2 . 19811 1 463 . 1 1 41 41 ASP HB3 H 1 2.811 0.006 11 2 . . . A 41 ASP HB3 . 19811 1 464 . 1 1 41 41 ASP CA C 13 54.862 0.047 8 1 . . . A 41 ASP CA . 19811 1 465 . 1 1 41 41 ASP CB C 13 41.920 0.056 4 1 . . . A 41 ASP CB . 19811 1 466 . 1 1 41 41 ASP N N 15 118.239 0.031 26 1 . . . A 41 ASP N . 19811 1 467 . 1 1 42 42 ILE H H 1 7.069 0.002 28 1 . . . A 42 ILE H . 19811 1 468 . 1 1 42 42 ILE HA H 1 4.305 0.004 23 1 . . . A 42 ILE HA . 19811 1 469 . 1 1 42 42 ILE HB H 1 2.002 0.004 15 1 . . . A 42 ILE HB . 19811 1 470 . 1 1 42 42 ILE HG12 H 1 1.495 0.004 11 2 . . . A 42 ILE HG12 . 19811 1 471 . 1 1 42 42 ILE HG13 H 1 1.279 0.004 9 2 . . . A 42 ILE HG13 . 19811 1 472 . 1 1 42 42 ILE HG21 H 1 0.730 0.002 10 1 . . . A 42 ILE HG21 . 19811 1 473 . 1 1 42 42 ILE HG22 H 1 0.730 0.002 10 1 . . . A 42 ILE HG22 . 19811 1 474 . 1 1 42 42 ILE HG23 H 1 0.730 0.002 10 1 . . . A 42 ILE HG23 . 19811 1 475 . 1 1 42 42 ILE HD11 H 1 0.682 0.000 6 1 . . . A 42 ILE HD11 . 19811 1 476 . 1 1 42 42 ILE HD12 H 1 0.682 0.000 6 1 . . . A 42 ILE HD12 . 19811 1 477 . 1 1 42 42 ILE HD13 H 1 0.682 0.000 6 1 . . . A 42 ILE HD13 . 19811 1 478 . 1 1 42 42 ILE CA C 13 60.232 0.060 13 1 . . . A 42 ILE CA . 19811 1 479 . 1 1 42 42 ILE CB C 13 39.070 0.086 7 1 . . . A 42 ILE CB . 19811 1 480 . 1 1 42 42 ILE CG1 C 13 26.787 0.061 5 1 . . . A 42 ILE CG1 . 19811 1 481 . 1 1 42 42 ILE CG2 C 13 17.485 0.041 7 1 . . . A 42 ILE CG2 . 19811 1 482 . 1 1 42 42 ILE CD1 C 13 13.173 0.092 7 1 . . . A 42 ILE CD1 . 19811 1 483 . 1 1 42 42 ILE N N 15 116.579 0.014 24 1 . . . A 42 ILE N . 19811 1 484 . 1 1 43 43 LYS H H 1 8.709 0.002 32 1 . . . A 43 LYS H . 19811 1 485 . 1 1 43 43 LYS HA H 1 4.489 0.003 8 1 . . . A 43 LYS HA . 19811 1 486 . 1 1 43 43 LYS HB2 H 1 1.670 0.007 5 2 . . . A 43 LYS HB2 . 19811 1 487 . 1 1 43 43 LYS HB3 H 1 1.533 0.007 5 2 . . . A 43 LYS HB3 . 19811 1 488 . 1 1 43 43 LYS HG2 H 1 1.091 0.005 7 2 . . . A 43 LYS HG2 . 19811 1 489 . 1 1 43 43 LYS HG3 H 1 1.091 0.005 7 2 . . . A 43 LYS HG3 . 19811 1 490 . 1 1 43 43 LYS HD2 H 1 1.349 0.005 4 2 . . . A 43 LYS HD2 . 19811 1 491 . 1 1 43 43 LYS HD3 H 1 1.349 0.005 4 2 . . . A 43 LYS HD3 . 19811 1 492 . 1 1 43 43 LYS HE2 H 1 2.832 0.012 4 2 . . . A 43 LYS HE2 . 19811 1 493 . 1 1 43 43 LYS HE3 H 1 2.702 0.010 5 2 . . . A 43 LYS HE3 . 19811 1 494 . 1 1 43 43 LYS CA C 13 54.924 0.072 6 1 . . . A 43 LYS CA . 19811 1 495 . 1 1 43 43 LYS CB C 13 35.322 0.123 5 1 . . . A 43 LYS CB . 19811 1 496 . 1 1 43 43 LYS CG C 13 24.600 0.000 1 1 . . . A 43 LYS CG . 19811 1 497 . 1 1 43 43 LYS CD C 13 29.173 0.000 1 1 . . . A 43 LYS CD . 19811 1 498 . 1 1 43 43 LYS CE C 13 41.863 0.036 3 1 . . . A 43 LYS CE . 19811 1 499 . 1 1 43 43 LYS N N 15 128.374 0.026 30 1 . . . A 43 LYS N . 19811 1 500 . 1 1 44 44 LEU H H 1 8.929 0.002 23 1 . . . A 44 LEU H . 19811 1 501 . 1 1 44 44 LEU HA H 1 5.368 0.005 25 1 . . . A 44 LEU HA . 19811 1 502 . 1 1 44 44 LEU HB2 H 1 1.606 0.006 9 2 . . . A 44 LEU HB2 . 19811 1 503 . 1 1 44 44 LEU HB3 H 1 1.100 0.006 9 2 . . . A 44 LEU HB3 . 19811 1 504 . 1 1 44 44 LEU HG H 1 1.500 0.003 4 1 . . . A 44 LEU HG . 19811 1 505 . 1 1 44 44 LEU HD11 H 1 0.723 0.005 18 2 . . . A 44 LEU HD11 . 19811 1 506 . 1 1 44 44 LEU HD12 H 1 0.723 0.005 18 2 . . . A 44 LEU HD12 . 19811 1 507 . 1 1 44 44 LEU HD13 H 1 0.723 0.005 18 2 . . . A 44 LEU HD13 . 19811 1 508 . 1 1 44 44 LEU HD21 H 1 0.723 0.005 18 2 . . . A 44 LEU HD21 . 19811 1 509 . 1 1 44 44 LEU HD22 H 1 0.723 0.005 18 2 . . . A 44 LEU HD22 . 19811 1 510 . 1 1 44 44 LEU HD23 H 1 0.723 0.005 18 2 . . . A 44 LEU HD23 . 19811 1 511 . 1 1 44 44 LEU CA C 13 52.839 0.074 15 1 . . . A 44 LEU CA . 19811 1 512 . 1 1 44 44 LEU CB C 13 44.529 0.038 4 1 . . . A 44 LEU CB . 19811 1 513 . 1 1 44 44 LEU CD1 C 13 23.688 0.090 5 2 . . . A 44 LEU CG . 19811 1 514 . 1 1 44 44 LEU CD2 C 13 23.688 0.090 5 2 . . . A 44 LEU CD1 . 19811 1 515 . 1 1 44 44 LEU CG C 13 25.825 0.014 5 1 . . . A 44 LEU CD2 . 19811 1 516 . 1 1 44 44 LEU N N 15 126.700 0.041 22 1 . . . A 44 LEU N . 19811 1 517 . 1 1 45 45 THR H H 1 8.846 0.003 26 1 . . . A 45 THR H . 19811 1 518 . 1 1 45 45 THR HA H 1 5.282 0.003 18 1 . . . A 45 THR HA . 19811 1 519 . 1 1 45 45 THR HB H 1 3.666 0.005 13 1 . . . A 45 THR HB . 19811 1 520 . 1 1 45 45 THR HG21 H 1 0.889 0.003 17 1 . . . A 45 THR HG21 . 19811 1 521 . 1 1 45 45 THR HG22 H 1 0.889 0.003 17 1 . . . A 45 THR HG22 . 19811 1 522 . 1 1 45 45 THR HG23 H 1 0.889 0.003 17 1 . . . A 45 THR HG23 . 19811 1 523 . 1 1 45 45 THR CA C 13 59.240 0.033 8 1 . . . A 45 THR CA . 19811 1 524 . 1 1 45 45 THR CB C 13 72.146 0.019 5 1 . . . A 45 THR CB . 19811 1 525 . 1 1 45 45 THR CG2 C 13 21.306 0.035 9 1 . . . A 45 THR CG2 . 19811 1 526 . 1 1 45 45 THR N N 15 112.945 0.049 25 1 . . . A 45 THR N . 19811 1 527 . 1 1 46 46 HIS H H 1 8.620 0.003 17 1 . . . A 46 HIS H . 19811 1 528 . 1 1 46 46 HIS HA H 1 4.956 0.007 11 1 . . . A 46 HIS HA . 19811 1 529 . 1 1 46 46 HIS HB2 H 1 2.871 0.001 4 2 . . . A 46 HIS HB2 . 19811 1 530 . 1 1 46 46 HIS HB3 H 1 2.797 0.002 5 2 . . . A 46 HIS HB3 . 19811 1 531 . 1 1 46 46 HIS CA C 13 55.757 0.033 3 1 . . . A 46 HIS CA . 19811 1 532 . 1 1 46 46 HIS CB C 13 34.673 0.042 8 1 . . . A 46 HIS CB . 19811 1 533 . 1 1 46 46 HIS N N 15 120.347 0.032 15 1 . . . A 46 HIS N . 19811 1 534 . 1 1 47 47 ASN H H 1 9.136 0.003 17 1 . . . A 47 ASN H . 19811 1 535 . 1 1 47 47 ASN HA H 1 4.178 0.002 10 1 . . . A 47 ASN HA . 19811 1 536 . 1 1 47 47 ASN HB2 H 1 2.920 0.010 10 2 . . . A 47 ASN HB2 . 19811 1 537 . 1 1 47 47 ASN HB3 H 1 2.290 0.003 10 2 . . . A 47 ASN HB3 . 19811 1 538 . 1 1 47 47 ASN HD21 H 1 7.324 0.011 6 2 . . . A 47 ASN HD21 . 19811 1 539 . 1 1 47 47 ASN HD22 H 1 6.691 0.001 6 2 . . . A 47 ASN HD22 . 19811 1 540 . 1 1 47 47 ASN CA C 13 53.481 0.016 6 1 . . . A 47 ASN CA . 19811 1 541 . 1 1 47 47 ASN CB C 13 36.888 0.100 4 1 . . . A 47 ASN CB . 19811 1 542 . 1 1 47 47 ASN N N 15 128.187 0.056 16 1 . . . A 47 ASN N . 19811 1 543 . 1 1 47 47 ASN ND2 N 15 111.650 0.009 11 1 . . . A 47 ASN ND2 . 19811 1 544 . 1 1 48 48 GLY H H 1 8.633 0.002 24 1 . . . A 48 GLY H . 19811 1 545 . 1 1 48 48 GLY HA2 H 1 4.110 0.006 5 2 . . . A 48 GLY HA2 . 19811 1 546 . 1 1 48 48 GLY HA3 H 1 3.537 0.006 4 2 . . . A 48 GLY HA3 . 19811 1 547 . 1 1 48 48 GLY CA C 13 45.279 0.090 3 1 . . . A 48 GLY CA . 19811 1 548 . 1 1 48 48 GLY N N 15 103.028 0.023 22 1 . . . A 48 GLY N . 19811 1 549 . 1 1 49 49 LYS H H 1 7.790 0.002 22 1 . . . A 49 LYS H . 19811 1 550 . 1 1 49 49 LYS HA H 1 4.572 0.003 8 1 . . . A 49 LYS HA . 19811 1 551 . 1 1 49 49 LYS HB2 H 1 1.851 0.011 11 2 . . . A 49 LYS HB2 . 19811 1 552 . 1 1 49 49 LYS HB3 H 1 1.851 0.011 11 2 . . . A 49 LYS HB3 . 19811 1 553 . 1 1 49 49 LYS HE2 H 1 3.094 0.007 4 2 . . . A 49 LYS HG2 . 19811 1 554 . 1 1 49 49 LYS HE3 H 1 3.094 0.007 4 2 . . . A 49 LYS HG3 . 19811 1 555 . 1 1 49 49 LYS HG2 H 1 1.464 0.002 9 2 . . . A 49 LYS HE2 . 19811 1 556 . 1 1 49 49 LYS HG3 H 1 1.464 0.002 9 2 . . . A 49 LYS HE3 . 19811 1 557 . 1 1 49 49 LYS CA C 13 54.677 0.061 4 1 . . . A 49 LYS CA . 19811 1 558 . 1 1 49 49 LYS CB C 13 33.823 0.017 4 1 . . . A 49 LYS CB . 19811 1 559 . 1 1 49 49 LYS CG C 13 24.403 0.001 3 1 . . . A 49 LYS CG . 19811 1 560 . 1 1 49 49 LYS CD C 13 28.772 0.000 1 1 . . . A 49 LYS CD . 19811 1 561 . 1 1 49 49 LYS CE C 13 41.859 0.024 2 1 . . . A 49 LYS CE . 19811 1 562 . 1 1 49 49 LYS N N 15 121.730 0.024 18 1 . . . A 49 LYS N . 19811 1 563 . 1 1 50 50 THR H H 1 8.735 0.001 21 1 . . . A 50 THR H . 19811 1 564 . 1 1 50 50 THR HA H 1 4.254 0.002 12 1 . . . A 50 THR HA . 19811 1 565 . 1 1 50 50 THR HB H 1 3.962 0.005 7 1 . . . A 50 THR HB . 19811 1 566 . 1 1 50 50 THR HG21 H 1 1.134 0.002 11 1 . . . A 50 THR HG21 . 19811 1 567 . 1 1 50 50 THR HG22 H 1 1.134 0.002 11 1 . . . A 50 THR HG22 . 19811 1 568 . 1 1 50 50 THR HG23 H 1 1.134 0.002 11 1 . . . A 50 THR HG23 . 19811 1 569 . 1 1 50 50 THR CA C 13 63.304 0.109 7 1 . . . A 50 THR CA . 19811 1 570 . 1 1 50 50 THR CB C 13 68.732 0.030 5 1 . . . A 50 THR CB . 19811 1 571 . 1 1 50 50 THR CG2 C 13 22.603 0.024 8 1 . . . A 50 THR CG2 . 19811 1 572 . 1 1 50 50 THR N N 15 121.190 0.033 21 1 . . . A 50 THR N . 19811 1 573 . 1 1 51 51 LEU H H 1 8.586 0.006 27 1 . . . A 51 LEU H . 19811 1 574 . 1 1 51 51 LEU HA H 1 3.973 0.003 14 1 . . . A 51 LEU HA . 19811 1 575 . 1 1 51 51 LEU HB2 H 1 1.483 0.004 5 2 . . . A 51 LEU HB2 . 19811 1 576 . 1 1 51 51 LEU HB3 H 1 0.944 0.013 7 2 . . . A 51 LEU HB3 . 19811 1 577 . 1 1 51 51 LEU HD11 H 1 0.394 0.006 18 2 . . . A 51 LEU HD11 . 19811 1 578 . 1 1 51 51 LEU HD12 H 1 0.394 0.006 18 2 . . . A 51 LEU HD12 . 19811 1 579 . 1 1 51 51 LEU HD13 H 1 0.394 0.006 18 2 . . . A 51 LEU HD13 . 19811 1 580 . 1 1 51 51 LEU HD21 H 1 0.394 0.006 18 2 . . . A 51 LEU HD21 . 19811 1 581 . 1 1 51 51 LEU HD22 H 1 0.394 0.006 18 2 . . . A 51 LEU HD22 . 19811 1 582 . 1 1 51 51 LEU HD23 H 1 0.394 0.006 18 2 . . . A 51 LEU HD23 . 19811 1 583 . 1 1 51 51 LEU CA C 13 54.125 0.086 11 1 . . . A 51 LEU CA . 19811 1 584 . 1 1 51 51 LEU CB C 13 41.715 0.039 2 1 . . . A 51 LEU CB . 19811 1 585 . 1 1 51 51 LEU CG C 13 29.645 0.003 12 1 . . . A 51 LEU CG . 19811 1 586 . 1 1 51 51 LEU CD1 C 13 25.336 0.018 6 2 . . . A 51 LEU CD1 . 19811 1 587 . 1 1 51 51 LEU CD2 C 13 25.336 0.018 6 2 . . . A 51 LEU CD2 . 19811 1 588 . 1 1 51 51 LEU N N 15 127.406 0.043 25 1 . . . A 51 LEU N . 19811 1 589 . 1 1 52 52 ASP H H 1 8.974 0.001 25 1 . . . A 52 ASP H . 19811 1 590 . 1 1 52 52 ASP HA H 1 4.840 0.011 13 1 . . . A 52 ASP HA . 19811 1 591 . 1 1 52 52 ASP HB2 H 1 3.116 0.004 8 2 . . . A 52 ASP HB2 . 19811 1 592 . 1 1 52 52 ASP HB3 H 1 2.626 0.008 8 2 . . . A 52 ASP HB3 . 19811 1 593 . 1 1 52 52 ASP CA C 13 51.377 0.035 8 1 . . . A 52 ASP CA . 19811 1 594 . 1 1 52 52 ASP CB C 13 43.019 0.008 3 1 . . . A 52 ASP CB . 19811 1 595 . 1 1 52 52 ASP N N 15 126.711 0.049 25 1 . . . A 52 ASP N . 19811 1 596 . 1 1 53 53 PRO HA H 1 4.095 0.005 20 1 . . . A 53 PRO HA . 19811 1 597 . 1 1 53 53 PRO HB2 H 1 2.157 0.010 11 2 . . . A 53 PRO HB2 . 19811 1 598 . 1 1 53 53 PRO HB3 H 1 1.980 0.002 4 2 . . . A 53 PRO HB3 . 19811 1 599 . 1 1 53 53 PRO HG2 H 1 2.101 0.002 3 2 . . . A 53 PRO HG2 . 19811 1 600 . 1 1 53 53 PRO HG3 H 1 1.880 0.003 4 2 . . . A 53 PRO HG3 . 19811 1 601 . 1 1 53 53 PRO HD2 H 1 3.782 0.005 6 2 . . . A 53 PRO HD2 . 19811 1 602 . 1 1 53 53 PRO HD3 H 1 3.782 0.005 6 2 . . . A 53 PRO HD3 . 19811 1 603 . 1 1 53 53 PRO CA C 13 64.240 0.057 14 1 . . . A 53 PRO CA . 19811 1 604 . 1 1 53 53 PRO CB C 13 33.077 0.025 4 1 . . . A 53 PRO CB . 19811 1 605 . 1 1 53 53 PRO CG C 13 27.460 0.093 5 1 . . . A 53 PRO CG . 19811 1 606 . 1 1 53 53 PRO CD C 13 51.479 0.097 2 1 . . . A 53 PRO CD . 19811 1 607 . 1 1 54 54 SER H H 1 8.643 0.001 27 1 . . . A 54 SER H . 19811 1 608 . 1 1 54 54 SER HA H 1 4.330 0.010 6 1 . . . A 54 SER HA . 19811 1 609 . 1 1 54 54 SER HB2 H 1 3.886 0.004 5 2 . . . A 54 SER HB2 . 19811 1 610 . 1 1 54 54 SER HB3 H 1 3.886 0.004 5 2 . . . A 54 SER HB3 . 19811 1 611 . 1 1 54 54 SER CA C 13 59.971 0.030 3 1 . . . A 54 SER CA . 19811 1 612 . 1 1 54 54 SER CB C 13 63.881 0.072 3 1 . . . A 54 SER CB . 19811 1 613 . 1 1 54 54 SER N N 15 110.024 0.019 26 1 . . . A 54 SER N . 19811 1 614 . 1 1 55 55 LEU H H 1 7.722 0.001 25 1 . . . A 55 LEU H . 19811 1 615 . 1 1 55 55 LEU HA H 1 4.645 0.006 15 1 . . . A 55 LEU HA . 19811 1 616 . 1 1 55 55 LEU HB2 H 1 1.920 0.004 10 2 . . . A 55 LEU HB2 . 19811 1 617 . 1 1 55 55 LEU HB3 H 1 1.497 0.004 6 2 . . . A 55 LEU HB3 . 19811 1 618 . 1 1 55 55 LEU HG H 1 1.569 0.010 8 1 . . . A 55 LEU HG . 19811 1 619 . 1 1 55 55 LEU HD11 H 1 0.716 0.002 12 2 . . . A 55 LEU HD11 . 19811 1 620 . 1 1 55 55 LEU HD12 H 1 0.716 0.002 12 2 . . . A 55 LEU HD12 . 19811 1 621 . 1 1 55 55 LEU HD13 H 1 0.716 0.002 12 2 . . . A 55 LEU HD13 . 19811 1 622 . 1 1 55 55 LEU HD21 H 1 0.597 0.006 10 2 . . . A 55 LEU HD21 . 19811 1 623 . 1 1 55 55 LEU HD22 H 1 0.597 0.006 10 2 . . . A 55 LEU HD22 . 19811 1 624 . 1 1 55 55 LEU HD23 H 1 0.597 0.006 10 2 . . . A 55 LEU HD23 . 19811 1 625 . 1 1 55 55 LEU CA C 13 50.579 8.010 5 1 . . . A 55 LEU CA . 19811 1 626 . 1 1 55 55 LEU CB C 13 43.928 0.035 7 1 . . . A 55 LEU CB . 19811 1 627 . 1 1 55 55 LEU CG C 13 28.894 0.128 5 1 . . . A 55 LEU CG . 19811 1 628 . 1 1 55 55 LEU CD1 C 13 24.026 0.032 7 2 . . . A 55 LEU CD1 . 19811 1 629 . 1 1 55 55 LEU CD2 C 13 23.192 0.005 4 2 . . . A 55 LEU CD2 . 19811 1 630 . 1 1 55 55 LEU N N 15 123.514 0.050 22 1 . . . A 55 LEU N . 19811 1 631 . 1 1 56 56 THR H H 1 8.335 0.004 33 1 . . . A 56 THR H . 19811 1 632 . 1 1 56 56 THR HA H 1 4.921 0.011 13 1 . . . A 56 THR HA . 19811 1 633 . 1 1 56 56 THR HB H 1 4.690 0.005 11 1 . . . A 56 THR HB . 19811 1 634 . 1 1 56 56 THR HG21 H 1 1.246 0.003 8 1 . . . A 56 THR HG21 . 19811 1 635 . 1 1 56 56 THR HG22 H 1 1.246 0.003 8 1 . . . A 56 THR HG22 . 19811 1 636 . 1 1 56 56 THR HG23 H 1 1.246 0.003 8 1 . . . A 56 THR HG23 . 19811 1 637 . 1 1 56 56 THR CA C 13 60.266 0.043 6 1 . . . A 56 THR CA . 19811 1 638 . 1 1 56 56 THR CB C 13 71.553 0.031 6 1 . . . A 56 THR CB . 19811 1 639 . 1 1 56 56 THR CG2 C 13 22.209 0.026 3 1 . . . A 56 THR CG2 . 19811 1 640 . 1 1 56 56 THR N N 15 107.845 0.023 30 1 . . . A 56 THR N . 19811 1 641 . 1 1 57 57 LEU H H 1 8.117 0.002 26 1 . . . A 57 LEU H . 19811 1 642 . 1 1 57 57 LEU HA H 1 3.992 0.005 14 1 . . . A 57 LEU HA . 19811 1 643 . 1 1 57 57 LEU HB2 H 1 1.944 0.010 6 2 . . . A 57 LEU HB2 . 19811 1 644 . 1 1 57 57 LEU HB3 H 1 1.487 0.002 5 2 . . . A 57 LEU HB3 . 19811 1 645 . 1 1 57 57 LEU HD11 H 1 0.865 0.006 12 2 . . . A 57 LEU HD11 . 19811 1 646 . 1 1 57 57 LEU HD12 H 1 0.865 0.006 12 2 . . . A 57 LEU HD12 . 19811 1 647 . 1 1 57 57 LEU HD13 H 1 0.865 0.006 12 2 . . . A 57 LEU HD13 . 19811 1 648 . 1 1 57 57 LEU HD21 H 1 0.681 0.004 14 2 . . . A 57 LEU HD21 . 19811 1 649 . 1 1 57 57 LEU HD22 H 1 0.681 0.004 14 2 . . . A 57 LEU HD22 . 19811 1 650 . 1 1 57 57 LEU HD23 H 1 0.681 0.004 14 2 . . . A 57 LEU HD23 . 19811 1 651 . 1 1 57 57 LEU CA C 13 58.658 0.051 8 1 . . . A 57 LEU CA . 19811 1 652 . 1 1 57 57 LEU CB C 13 39.774 0.035 6 1 . . . A 57 LEU CB . 19811 1 653 . 1 1 57 57 LEU CG C 13 25.759 0.000 1 1 . . . A 57 LEU CG . 19811 1 654 . 1 1 57 57 LEU CD1 C 13 25.955 0.009 4 2 . . . A 57 LEU CD1 . 19811 1 655 . 1 1 57 57 LEU CD2 C 13 23.000 0.015 5 2 . . . A 57 LEU CD2 . 19811 1 656 . 1 1 57 57 LEU N N 15 118.354 0.031 24 1 . . . A 57 LEU N . 19811 1 657 . 1 1 58 58 ALA H H 1 8.730 0.002 28 1 . . . A 58 ALA H . 19811 1 658 . 1 1 58 58 ALA HA H 1 4.075 0.006 5 1 . . . A 58 ALA HA . 19811 1 659 . 1 1 58 58 ALA HB1 H 1 1.393 0.005 11 1 . . . A 58 ALA HB1 . 19811 1 660 . 1 1 58 58 ALA HB2 H 1 1.393 0.005 11 1 . . . A 58 ALA HB2 . 19811 1 661 . 1 1 58 58 ALA HB3 H 1 1.393 0.005 11 1 . . . A 58 ALA HB3 . 19811 1 662 . 1 1 58 58 ALA CA C 13 55.047 0.073 3 1 . . . A 58 ALA CA . 19811 1 663 . 1 1 58 58 ALA CB C 13 18.267 0.075 8 1 . . . A 58 ALA CB . 19811 1 664 . 1 1 58 58 ALA N N 15 120.467 0.031 25 1 . . . A 58 ALA N . 19811 1 665 . 1 1 59 59 GLU H H 1 7.890 0.002 24 1 . . . A 59 GLU H . 19811 1 666 . 1 1 59 59 GLU HA H 1 3.935 0.004 13 1 . . . A 59 GLU HA . 19811 1 667 . 1 1 59 59 GLU HB2 H 1 2.151 0.004 5 2 . . . A 59 GLU HB2 . 19811 1 668 . 1 1 59 59 GLU HB3 H 1 1.772 0.003 11 2 . . . A 59 GLU HB3 . 19811 1 669 . 1 1 59 59 GLU HG2 H 1 2.197 0.009 5 2 . . . A 59 GLU HG2 . 19811 1 670 . 1 1 59 59 GLU HG3 H 1 2.073 0.011 4 2 . . . A 59 GLU HG3 . 19811 1 671 . 1 1 59 59 GLU CA C 13 58.914 0.043 8 1 . . . A 59 GLU CA . 19811 1 672 . 1 1 59 59 GLU CB C 13 29.623 0.030 3 1 . . . A 59 GLU CB . 19811 1 673 . 1 1 59 59 GLU CG C 13 37.625 0.080 5 1 . . . A 59 GLU CG . 19811 1 674 . 1 1 59 59 GLU N N 15 119.907 0.041 21 1 . . . A 59 GLU N . 19811 1 675 . 1 1 60 60 TYR H H 1 7.448 0.004 28 1 . . . A 60 TYR H . 19811 1 676 . 1 1 60 60 TYR HA H 1 4.554 0.002 13 1 . . . A 60 TYR HA . 19811 1 677 . 1 1 60 60 TYR HB2 H 1 3.355 0.002 14 2 . . . A 60 TYR HB2 . 19811 1 678 . 1 1 60 60 TYR HB3 H 1 2.631 0.003 13 2 . . . A 60 TYR HB3 . 19811 1 679 . 1 1 60 60 TYR HD1 H 1 7.160 0.005 9 3 . . . A 60 TYR HD1 . 19811 1 680 . 1 1 60 60 TYR HD2 H 1 7.160 0.005 9 3 . . . A 60 TYR HD2 . 19811 1 681 . 1 1 60 60 TYR HE1 H 1 6.865 0.003 16 3 . . . A 60 TYR HE1 . 19811 1 682 . 1 1 60 60 TYR HE2 H 1 6.865 0.003 16 3 . . . A 60 TYR HE2 . 19811 1 683 . 1 1 60 60 TYR CA C 13 59.463 0.039 8 1 . . . A 60 TYR CA . 19811 1 684 . 1 1 60 60 TYR CB C 13 40.288 0.050 4 1 . . . A 60 TYR CB . 19811 1 685 . 1 1 60 60 TYR N N 15 116.582 0.019 24 1 . . . A 60 TYR N . 19811 1 686 . 1 1 61 61 GLY H H 1 8.067 0.001 25 1 . . . A 61 GLY H . 19811 1 687 . 1 1 61 61 GLY HA2 H 1 4.001 0.010 4 2 . . . A 61 GLY HA2 . 19811 1 688 . 1 1 61 61 GLY HA3 H 1 3.813 0.001 4 2 . . . A 61 GLY HA3 . 19811 1 689 . 1 1 61 61 GLY CA C 13 46.380 0.016 2 1 . . . A 61 GLY CA . 19811 1 690 . 1 1 61 61 GLY N N 15 109.141 0.018 23 1 . . . A 61 GLY N . 19811 1 691 . 1 1 62 62 ILE H H 1 7.416 0.001 20 1 . . . A 62 ILE H . 19811 1 692 . 1 1 62 62 ILE HA H 1 3.614 0.005 16 1 . . . A 62 ILE HA . 19811 1 693 . 1 1 62 62 ILE HB H 1 1.551 0.006 16 1 . . . A 62 ILE HB . 19811 1 694 . 1 1 62 62 ILE HG12 H 1 1.148 0.002 9 2 . . . A 62 ILE HG12 . 19811 1 695 . 1 1 62 62 ILE HG13 H 1 0.010 0.007 10 2 . . . A 62 ILE HG13 . 19811 1 696 . 1 1 62 62 ILE HG21 H 1 0.543 0.003 17 1 . . . A 62 ILE HG21 . 19811 1 697 . 1 1 62 62 ILE HG22 H 1 0.543 0.003 17 1 . . . A 62 ILE HG22 . 19811 1 698 . 1 1 62 62 ILE HG23 H 1 0.543 0.003 17 1 . . . A 62 ILE HG23 . 19811 1 699 . 1 1 62 62 ILE HD11 H 1 0.366 0.006 22 1 . . . A 62 ILE HD11 . 19811 1 700 . 1 1 62 62 ILE HD12 H 1 0.366 0.006 22 1 . . . A 62 ILE HD12 . 19811 1 701 . 1 1 62 62 ILE HD13 H 1 0.366 0.006 22 1 . . . A 62 ILE HD13 . 19811 1 702 . 1 1 62 62 ILE CA C 13 61.392 0.045 9 1 . . . A 62 ILE CA . 19811 1 703 . 1 1 62 62 ILE CB C 13 36.445 0.037 8 1 . . . A 62 ILE CB . 19811 1 704 . 1 1 62 62 ILE CG1 C 13 27.430 0.034 12 1 . . . A 62 ILE CG1 . 19811 1 705 . 1 1 62 62 ILE CG2 C 13 17.594 0.008 7 1 . . . A 62 ILE CG2 . 19811 1 706 . 1 1 62 62 ILE CD1 C 13 13.647 0.053 9 1 . . . A 62 ILE CD1 . 19811 1 707 . 1 1 62 62 ILE N N 15 120.506 0.015 20 1 . . . A 62 ILE N . 19811 1 708 . 1 1 63 63 THR H H 1 7.408 0.001 23 1 . . . A 63 THR H . 19811 1 709 . 1 1 63 63 THR HA H 1 4.528 0.004 10 1 . . . A 63 THR HA . 19811 1 710 . 1 1 63 63 THR HB H 1 4.367 0.006 9 1 . . . A 63 THR HB . 19811 1 711 . 1 1 63 63 THR HG21 H 1 1.127 0.003 8 1 . . . A 63 THR HG21 . 19811 1 712 . 1 1 63 63 THR HG22 H 1 1.127 0.003 8 1 . . . A 63 THR HG22 . 19811 1 713 . 1 1 63 63 THR HG23 H 1 1.127 0.003 8 1 . . . A 63 THR HG23 . 19811 1 714 . 1 1 63 63 THR CA C 13 58.942 0.067 5 1 . . . A 63 THR CA . 19811 1 715 . 1 1 63 63 THR CB C 13 68.304 0.032 5 1 . . . A 63 THR CB . 19811 1 716 . 1 1 63 63 THR CG2 C 13 21.892 0.004 3 1 . . . A 63 THR CG2 . 19811 1 717 . 1 1 63 63 THR N N 15 117.984 0.035 23 1 . . . A 63 THR N . 19811 1 718 . 1 1 64 64 PRO HA H 1 4.237 0.009 18 1 . . . A 64 PRO HA . 19811 1 719 . 1 1 64 64 PRO HB2 H 1 2.263 0.004 13 2 . . . A 64 PRO HB2 . 19811 1 720 . 1 1 64 64 PRO HB3 H 1 1.868 0.006 9 2 . . . A 64 PRO HB3 . 19811 1 721 . 1 1 64 64 PRO HG2 H 1 2.106 0.002 6 2 . . . A 64 PRO HG2 . 19811 1 722 . 1 1 64 64 PRO HG3 H 1 1.736 0.007 8 2 . . . A 64 PRO HG3 . 19811 1 723 . 1 1 64 64 PRO HD2 H 1 3.750 0.005 5 2 . . . A 64 PRO HD2 . 19811 1 724 . 1 1 64 64 PRO HD3 H 1 3.578 0.006 11 2 . . . A 64 PRO HD3 . 19811 1 725 . 1 1 64 64 PRO CA C 13 64.568 0.026 11 1 . . . A 64 PRO CA . 19811 1 726 . 1 1 64 64 PRO CB C 13 31.861 0.017 7 1 . . . A 64 PRO CB . 19811 1 727 . 1 1 64 64 PRO CG C 13 28.230 0.044 4 1 . . . A 64 PRO CG . 19811 1 728 . 1 1 64 64 PRO CD C 13 50.774 0.046 8 1 . . . A 64 PRO CD . 19811 1 729 . 1 1 65 65 GLY H H 1 9.286 0.003 32 1 . . . A 65 GLY H . 19811 1 730 . 1 1 65 65 GLY HA2 H 1 4.256 0.009 4 2 . . . A 65 GLY HA2 . 19811 1 731 . 1 1 65 65 GLY HA3 H 1 3.682 0.006 3 2 . . . A 65 GLY HA3 . 19811 1 732 . 1 1 65 65 GLY CA C 13 44.719 0.084 4 1 . . . A 65 GLY CA . 19811 1 733 . 1 1 65 65 GLY N N 15 112.539 0.035 29 1 . . . A 65 GLY N . 19811 1 734 . 1 1 66 66 SER H H 1 7.822 0.002 16 1 . . . A 66 SER H . 19811 1 735 . 1 1 66 66 SER HA H 1 4.535 0.004 8 1 . . . A 66 SER HA . 19811 1 736 . 1 1 66 66 SER HB2 H 1 3.819 0.002 6 2 . . . A 66 SER HB2 . 19811 1 737 . 1 1 66 66 SER HB3 H 1 3.744 0.005 6 2 . . . A 66 SER HB3 . 19811 1 738 . 1 1 66 66 SER CA C 13 60.415 0.108 4 1 . . . A 66 SER CA . 19811 1 739 . 1 1 66 66 SER CB C 13 64.604 0.018 8 1 . . . A 66 SER CB . 19811 1 740 . 1 1 66 66 SER N N 15 116.523 0.057 14 1 . . . A 66 SER N . 19811 1 741 . 1 1 67 67 THR H H 1 8.715 0.003 18 1 . . . A 67 THR H . 19811 1 742 . 1 1 67 67 THR HA H 1 5.342 0.003 15 1 . . . A 67 THR HA . 19811 1 743 . 1 1 67 67 THR HB H 1 3.922 0.006 7 1 . . . A 67 THR HB . 19811 1 744 . 1 1 67 67 THR HG21 H 1 1.060 0.005 9 1 . . . A 67 THR HG21 . 19811 1 745 . 1 1 67 67 THR HG22 H 1 1.060 0.005 9 1 . . . A 67 THR HG22 . 19811 1 746 . 1 1 67 67 THR HG23 H 1 1.060 0.005 9 1 . . . A 67 THR HG23 . 19811 1 747 . 1 1 67 67 THR CA C 13 62.059 0.055 3 1 . . . A 67 THR CA . 19811 1 748 . 1 1 67 67 THR CB C 13 70.858 0.022 4 1 . . . A 67 THR CB . 19811 1 749 . 1 1 67 67 THR CG2 C 13 21.975 0.024 9 1 . . . A 67 THR CG2 . 19811 1 750 . 1 1 67 67 THR N N 15 118.238 0.026 17 1 . . . A 67 THR N . 19811 1 751 . 1 1 68 68 ILE H H 1 9.097 0.002 29 1 . . . A 68 ILE H . 19811 1 752 . 1 1 68 68 ILE CA C 13 59.434 0.026 13 1 . . . A 68 ILE HA . 19811 1 753 . 1 1 68 68 ILE CB C 13 40.783 0.037 8 1 . . . A 68 ILE HB . 19811 1 754 . 1 1 68 68 ILE CD1 C 13 14.455 0.087 6 1 . . . A 68 ILE HG12 . 19811 1 755 . 1 1 68 68 ILE CG1 C 13 27.629 0.074 3 1 . . . A 68 ILE HG13 . 19811 1 756 . 1 1 68 68 ILE CG2 C 13 18.832 0.010 8 1 . . . A 68 ILE HG21 . 19811 1 757 . 1 1 68 68 ILE HA H 1 4.761 0.004 21 1 . . . A 68 ILE HG22 . 19811 1 758 . 1 1 68 68 ILE HB H 1 1.878 0.004 17 1 . . . A 68 ILE HG23 . 19811 1 759 . 1 1 68 68 ILE HG12 H 1 1.337 0.001 6 2 . . . A 68 ILE HD11 . 19811 1 760 . 1 1 68 68 ILE HG13 H 1 0.962 0.004 4 2 . . . A 68 ILE HD12 . 19811 1 761 . 1 1 68 68 ILE HG21 H 1 0.804 0.003 12 1 . . . A 68 ILE HD13 . 19811 1 762 . 1 1 68 68 ILE HG22 H 1 0.804 0.003 12 1 . . . A 68 ILE CA . 19811 1 763 . 1 1 68 68 ILE HG23 H 1 0.804 0.003 12 1 . . . A 68 ILE CB . 19811 1 764 . 1 1 68 68 ILE HD11 H 1 0.605 0.004 11 1 . . . A 68 ILE CG1 . 19811 1 765 . 1 1 68 68 ILE HD12 H 1 0.605 0.004 11 1 . . . A 68 ILE CG2 . 19811 1 766 . 1 1 68 68 ILE HD13 H 1 0.605 0.004 11 1 . . . A 68 ILE CD1 . 19811 1 767 . 1 1 68 68 ILE N N 15 126.891 0.036 26 1 . . . A 68 ILE N . 19811 1 768 . 1 1 69 69 THR H H 1 8.903 0.002 30 1 . . . A 69 THR H . 19811 1 769 . 1 1 69 69 THR HA H 1 4.566 0.002 11 1 . . . A 69 THR HA . 19811 1 770 . 1 1 69 69 THR HB H 1 4.102 0.004 9 1 . . . A 69 THR HB . 19811 1 771 . 1 1 69 69 THR HG21 H 1 1.077 0.005 8 1 . . . A 69 THR HG21 . 19811 1 772 . 1 1 69 69 THR HG22 H 1 1.077 0.005 8 1 . . . A 69 THR HG22 . 19811 1 773 . 1 1 69 69 THR HG23 H 1 1.077 0.005 8 1 . . . A 69 THR HG23 . 19811 1 774 . 1 1 69 69 THR CA C 13 63.014 0.105 7 1 . . . A 69 THR CA . 19811 1 775 . 1 1 69 69 THR CB C 13 70.043 0.085 5 1 . . . A 69 THR CB . 19811 1 776 . 1 1 69 69 THR CG2 C 13 21.918 0.007 3 1 . . . A 69 THR CG2 . 19811 1 777 . 1 1 69 69 THR N N 15 120.333 0.038 29 1 . . . A 69 THR N . 19811 1 778 . 1 1 70 70 LEU H H 1 8.191 0.002 28 1 . . . A 70 LEU H . 19811 1 779 . 1 1 70 70 LEU CA C 13 54.088 0.032 11 1 . . . A 70 LEU HA . 19811 1 780 . 1 1 70 70 LEU CB C 13 44.772 0.037 6 1 . . . A 70 LEU HB2 . 19811 1 781 . 1 1 70 70 LEU CD1 C 13 27.740 0.013 7 2 . . . A 70 LEU HB3 . 19811 1 782 . 1 1 70 70 LEU CD2 C 13 26.823 0.017 8 2 . . . A 70 LEU HG . 19811 1 783 . 1 1 70 70 LEU CG C 13 27.283 0.000 1 1 . . . A 70 LEU HD11 . 19811 1 784 . 1 1 70 70 LEU HA H 1 4.984 0.003 21 1 . . . A 70 LEU HD12 . 19811 1 785 . 1 1 70 70 LEU HB2 H 1 1.864 0.004 12 2 . . . A 70 LEU HD13 . 19811 1 786 . 1 1 70 70 LEU HB3 H 1 1.101 0.006 9 2 . . . A 70 LEU HD21 . 19811 1 787 . 1 1 70 70 LEU HD11 H 1 0.854 0.003 13 2 . . . A 70 LEU HD22 . 19811 1 788 . 1 1 70 70 LEU HD12 H 1 0.854 0.003 13 2 . . . A 70 LEU HD23 . 19811 1 789 . 1 1 70 70 LEU HD13 H 1 0.854 0.003 13 2 . . . A 70 LEU CA . 19811 1 790 . 1 1 70 70 LEU HD21 H 1 0.656 0.001 10 2 . . . A 70 LEU CB . 19811 1 791 . 1 1 70 70 LEU HD22 H 1 0.656 0.001 10 2 . . . A 70 LEU CG . 19811 1 792 . 1 1 70 70 LEU HD23 H 1 0.656 0.001 10 2 . . . A 70 LEU CD1 . 19811 1 793 . 1 1 70 70 LEU HG H 1 1.346 0.002 7 1 . . . A 70 LEU CD2 . 19811 1 794 . 1 1 70 70 LEU N N 15 126.490 0.035 24 1 . . . A 70 LEU N . 19811 1 795 . 1 1 71 71 GLU H H 1 9.089 0.001 26 1 . . . A 71 GLU H . 19811 1 796 . 1 1 71 71 GLU CA C 13 54.828 0.085 4 1 . . . A 71 GLU HA . 19811 1 797 . 1 1 71 71 GLU CB C 13 33.391 0.023 4 1 . . . A 71 GLU HB2 . 19811 1 798 . 1 1 71 71 GLU CG C 13 36.270 0.000 1 1 . . . A 71 GLU HB3 . 19811 1 799 . 1 1 71 71 GLU HA H 1 4.505 0.005 9 1 . . . A 71 GLU HG2 . 19811 1 800 . 1 1 71 71 GLU HB2 H 1 1.845 0.002 3 2 . . . A 71 GLU HG3 . 19811 1 801 . 1 1 71 71 GLU HB3 H 1 1.728 0.006 2 2 . . . A 71 GLU CA . 19811 1 802 . 1 1 71 71 GLU HG2 H 1 2.068 0.006 2 2 . . . A 71 GLU CB . 19811 1 803 . 1 1 71 71 GLU HG3 H 1 2.068 0.006 2 2 . . . A 71 GLU CG . 19811 1 804 . 1 1 71 71 GLU N N 15 125.912 0.038 24 1 . . . A 71 GLU N . 19811 1 805 . 1 1 72 72 ILE H H 1 8.526 0.004 21 1 . . . A 72 ILE H . 19811 1 806 . 1 1 72 72 ILE HA H 1 4.570 0.004 17 1 . . . A 72 ILE HA . 19811 1 807 . 1 1 72 72 ILE HB H 1 1.700 0.005 13 1 . . . A 72 ILE HB . 19811 1 808 . 1 1 72 72 ILE HG12 H 1 1.395 0.003 9 2 . . . A 72 ILE HG12 . 19811 1 809 . 1 1 72 72 ILE HG13 H 1 1.395 0.003 9 2 . . . A 72 ILE HG13 . 19811 1 810 . 1 1 72 72 ILE HG21 H 1 0.877 0.003 9 1 . . . A 72 ILE HG21 . 19811 1 811 . 1 1 72 72 ILE HG22 H 1 0.877 0.003 9 1 . . . A 72 ILE HG22 . 19811 1 812 . 1 1 72 72 ILE HG23 H 1 0.877 0.003 9 1 . . . A 72 ILE HG23 . 19811 1 813 . 1 1 72 72 ILE HD11 H 1 0.758 0.001 9 1 . . . A 72 ILE HD11 . 19811 1 814 . 1 1 72 72 ILE HD12 H 1 0.758 0.001 9 1 . . . A 72 ILE HD12 . 19811 1 815 . 1 1 72 72 ILE HD13 H 1 0.758 0.001 9 1 . . . A 72 ILE HD13 . 19811 1 816 . 1 1 72 72 ILE CA C 13 59.629 0.040 9 1 . . . A 72 ILE CA . 19811 1 817 . 1 1 72 72 ILE CB C 13 38.376 0.020 6 1 . . . A 72 ILE CB . 19811 1 818 . 1 1 72 72 ILE CG1 C 13 27.601 0.003 2 1 . . . A 72 ILE CG1 . 19811 1 819 . 1 1 72 72 ILE CG2 C 13 17.633 0.034 8 1 . . . A 72 ILE CG2 . 19811 1 820 . 1 1 72 72 ILE CD1 C 13 12.757 0.036 5 1 . . . A 72 ILE CD1 . 19811 1 821 . 1 1 72 72 ILE N N 15 123.229 0.046 19 1 . . . A 72 ILE N . 19811 1 822 . 1 1 73 73 LYS H H 1 8.837 0.002 26 1 . . . A 73 LYS H . 19811 1 823 . 1 1 73 73 LYS HA H 1 4.178 0.005 9 1 . . . A 73 LYS HA . 19811 1 824 . 1 1 73 73 LYS HB2 H 1 1.723 0.002 4 2 . . . A 73 LYS HB2 . 19811 1 825 . 1 1 73 73 LYS HB3 H 1 1.592 0.008 6 2 . . . A 73 LYS HB3 . 19811 1 826 . 1 1 73 73 LYS HG2 H 1 1.278 0.003 5 2 . . . A 73 LYS HG2 . 19811 1 827 . 1 1 73 73 LYS HG3 H 1 1.278 0.003 5 2 . . . A 73 LYS HG3 . 19811 1 828 . 1 1 73 73 LYS HE2 H 1 2.866 0.000 1 2 . . . A 73 LYS HE2 . 19811 1 829 . 1 1 73 73 LYS HE3 H 1 2.866 0.000 1 2 . . . A 73 LYS HE3 . 19811 1 830 . 1 1 73 73 LYS CA C 13 56.564 0.060 6 1 . . . A 73 LYS CA . 19811 1 831 . 1 1 73 73 LYS CB C 13 33.320 0.021 2 1 . . . A 73 LYS CB . 19811 1 832 . 1 1 73 73 LYS CG C 13 24.996 0.101 3 1 . . . A 73 LYS CG . 19811 1 833 . 1 1 73 73 LYS CD C 13 28.970 0.000 1 1 . . . A 73 LYS CD . 19811 1 834 . 1 1 73 73 LYS CE C 13 42.023 0.000 1 1 . . . A 73 LYS CE . 19811 1 835 . 1 1 73 73 LYS N N 15 129.392 0.046 25 1 . . . A 73 LYS N . 19811 1 836 . 1 1 74 74 LYS H H 1 8.266 0.001 22 1 . . . A 74 LYS H . 19811 1 837 . 1 1 74 74 LYS HA H 1 4.255 0.004 5 1 . . . A 74 LYS HA . 19811 1 838 . 1 1 74 74 LYS HB2 H 1 1.667 0.015 3 2 . . . A 74 LYS HB2 . 19811 1 839 . 1 1 74 74 LYS HB3 H 1 1.667 0.015 3 2 . . . A 74 LYS HB3 . 19811 1 840 . 1 1 74 74 LYS HG2 H 1 1.378 0.009 3 2 . . . A 74 LYS HG2 . 19811 1 841 . 1 1 74 74 LYS HG3 H 1 1.378 0.009 3 2 . . . A 74 LYS HG3 . 19811 1 842 . 1 1 74 74 LYS HE2 H 1 2.943 0.000 1 2 . . . A 74 LYS HE2 . 19811 1 843 . 1 1 74 74 LYS HE3 H 1 2.943 0.000 1 2 . . . A 74 LYS HE3 . 19811 1 844 . 1 1 74 74 LYS CA C 13 56.000 0.022 4 1 . . . A 74 LYS CA . 19811 1 845 . 1 1 74 74 LYS CB C 13 33.223 0.010 2 1 . . . A 74 LYS CB . 19811 1 846 . 1 1 74 74 LYS CG C 13 24.523 0.000 1 1 . . . A 74 LYS CG . 19811 1 847 . 1 1 74 74 LYS CD C 13 28.670 0.000 1 1 . . . A 74 LYS CD . 19811 1 848 . 1 1 74 74 LYS CE C 13 42.091 0.000 1 1 . . . A 74 LYS CE . 19811 1 849 . 1 1 74 74 LYS N N 15 123.476 0.030 20 1 . . . A 74 LYS N . 19811 1 850 . 1 1 75 75 LYS H H 1 8.572 0.001 18 1 . . . A 75 LYS H . 19811 1 851 . 1 1 75 75 LYS HA H 1 4.245 0.004 9 1 . . . A 75 LYS HA . 19811 1 852 . 1 1 75 75 LYS HB2 H 1 1.750 0.010 6 2 . . . A 75 LYS HB2 . 19811 1 853 . 1 1 75 75 LYS HB3 H 1 1.750 0.010 6 2 . . . A 75 LYS HB3 . 19811 1 854 . 1 1 75 75 LYS HG2 H 1 1.404 0.005 5 2 . . . A 75 LYS HG2 . 19811 1 855 . 1 1 75 75 LYS HG3 H 1 1.404 0.005 5 2 . . . A 75 LYS HG3 . 19811 1 856 . 1 1 75 75 LYS HD2 H 1 1.638 0.017 3 2 . . . A 75 LYS HD2 . 19811 1 857 . 1 1 75 75 LYS HD3 H 1 1.638 0.017 3 2 . . . A 75 LYS HD3 . 19811 1 858 . 1 1 75 75 LYS HE2 H 1 2.949 0.000 1 2 . . . A 75 LYS HE2 . 19811 1 859 . 1 1 75 75 LYS HE3 H 1 2.949 0.000 1 2 . . . A 75 LYS HE3 . 19811 1 860 . 1 1 75 75 LYS CA C 13 56.677 0.074 5 1 . . . A 75 LYS CA . 19811 1 861 . 1 1 75 75 LYS CB C 13 32.876 0.097 3 1 . . . A 75 LYS CB . 19811 1 862 . 1 1 75 75 LYS CG C 13 24.538 0.000 1 1 . . . A 75 LYS CG . 19811 1 863 . 1 1 75 75 LYS CD C 13 28.814 0.073 3 1 . . . A 75 LYS CD . 19811 1 864 . 1 1 75 75 LYS CE C 13 42.164 0.000 1 1 . . . A 75 LYS CE . 19811 1 865 . 1 1 75 75 LYS N N 15 124.450 0.028 18 1 . . . A 75 LYS N . 19811 1 866 . 1 1 76 76 GLY H H 1 8.549 0.001 17 1 . . . A 76 GLY H . 19811 1 867 . 1 1 76 76 GLY HA2 H 1 3.925 0.001 4 2 . . . A 76 GLY HA2 . 19811 1 868 . 1 1 76 76 GLY HA3 H 1 3.925 0.001 4 2 . . . A 76 GLY HA3 . 19811 1 869 . 1 1 76 76 GLY CA C 13 45.330 0.000 1 1 . . . A 76 GLY CA . 19811 1 870 . 1 1 76 76 GLY N N 15 110.666 0.043 17 1 . . . A 76 GLY N . 19811 1 871 . 1 1 77 77 GLY H H 1 8.332 0.001 5 1 . . . A 77 GLY H . 19811 1 872 . 1 1 77 77 GLY HA2 H 1 3.927 0.001 4 2 . . . A 77 GLY HA2 . 19811 1 873 . 1 1 77 77 GLY HA3 H 1 3.927 0.001 4 2 . . . A 77 GLY HA3 . 19811 1 874 . 1 1 77 77 GLY CA C 13 45.300 0.011 2 1 . . . A 77 GLY CA . 19811 1 875 . 1 1 77 77 GLY N N 15 108.740 0.028 5 1 . . . A 77 GLY N . 19811 1 876 . 1 1 78 78 LEU H H 1 8.165 0.001 10 1 . . . A 78 LEU H . 19811 1 877 . 1 1 78 78 LEU HA H 1 4.263 0.003 13 1 . . . A 78 LEU HA . 19811 1 878 . 1 1 78 78 LEU HB2 H 1 1.538 0.001 2 2 . . . A 78 LEU HB2 . 19811 1 879 . 1 1 78 78 LEU HB3 H 1 1.481 0.002 2 2 . . . A 78 LEU HB3 . 19811 1 880 . 1 1 78 78 LEU HD11 H 1 0.849 0.000 1 2 . . . A 78 LEU HD11 . 19811 1 881 . 1 1 78 78 LEU HD12 H 1 0.849 0.000 1 2 . . . A 78 LEU HD12 . 19811 1 882 . 1 1 78 78 LEU HD13 H 1 0.849 0.000 1 2 . . . A 78 LEU HD13 . 19811 1 883 . 1 1 78 78 LEU HD21 H 1 0.791 0.002 4 2 . . . A 78 LEU HD21 . 19811 1 884 . 1 1 78 78 LEU HD22 H 1 0.791 0.002 4 2 . . . A 78 LEU HD22 . 19811 1 885 . 1 1 78 78 LEU HD23 H 1 0.791 0.002 4 2 . . . A 78 LEU HD23 . 19811 1 886 . 1 1 78 78 LEU CA C 13 55.127 0.042 7 1 . . . A 78 LEU CA . 19811 1 887 . 1 1 78 78 LEU CB C 13 42.290 0.024 4 1 . . . A 78 LEU CB . 19811 1 888 . 1 1 78 78 LEU CG C 13 26.726 0.000 1 1 . . . A 78 LEU CG . 19811 1 889 . 1 1 78 78 LEU CD1 C 13 24.565 0.000 1 2 . . . A 78 LEU CD1 . 19811 1 890 . 1 1 78 78 LEU CD2 C 13 23.635 0.073 3 2 . . . A 78 LEU CD2 . 19811 1 891 . 1 1 78 78 LEU N N 15 121.371 0.012 10 1 . . . A 78 LEU N . 19811 1 892 . 1 1 79 79 GLU H H 1 8.436 0.002 18 1 . . . A 79 GLU H . 19811 1 893 . 1 1 79 79 GLU HA H 1 4.135 0.006 7 1 . . . A 79 GLU HA . 19811 1 894 . 1 1 79 79 GLU HB2 H 1 1.837 0.006 4 2 . . . A 79 GLU HB2 . 19811 1 895 . 1 1 79 79 GLU HB3 H 1 1.837 0.006 4 2 . . . A 79 GLU HB3 . 19811 1 896 . 1 1 79 79 GLU HG2 H 1 2.155 0.001 2 2 . . . A 79 GLU HG2 . 19811 1 897 . 1 1 79 79 GLU HG3 H 1 2.083 0.002 2 2 . . . A 79 GLU HG3 . 19811 1 898 . 1 1 79 79 GLU CA C 13 56.628 0.084 5 1 . . . A 79 GLU CA . 19811 1 899 . 1 1 79 79 GLU CB C 13 32.156 2.725 3 1 . . . A 79 GLU CB . 19811 1 900 . 1 1 79 79 GLU CG C 13 36.141 0.002 2 1 . . . A 79 GLU CG . 19811 1 901 . 1 1 79 79 GLU N N 15 121.303 0.024 18 1 . . . A 79 GLU N . 19811 1 stop_ save_